55283 -OEChem-09272320482D 87 93 0 1 0 0 0 0 0999 V2000 3.4403 -2.1397 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -5.1397 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1724 -1.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -0.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6403 1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9599 2.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4446 2.3346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3467 2.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.7796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1509 4.1887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.2149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7689 4.1887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4599 5.1397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -1.1397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4814 -0.1887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6724 0.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1877 1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6525 3.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1388 1.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6035 3.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -2.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4324 0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4935 2.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2977 3.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2856 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7504 2.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5914 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0409 2.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5056 4.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3345 0.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7993 2.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1998 3.8796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9919 2.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4567 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3063 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0384 -3.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7200 3.8796 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1724 -4.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9599 3.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4631 4.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4599 5.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9279 2.9015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4142 4.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9198 -0.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 0.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2575 0.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6991 1.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4788 1.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5662 3.9267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0328 3.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2250 1.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7584 1.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0921 4.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 4.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 -1.8304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -1.9962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5187 -0.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 0.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -2.3297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7463 0.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8793 3.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9120 1.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2056 0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3386 2.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4527 2.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5856 5.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7694 -3.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5753 -3.9497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 -1.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2592 3.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 5.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9746 4.9305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 1.2281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0955 5.6413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3215 2.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0568 2.2950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5344 3.0304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2226 3.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.0038 4.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6058 4.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 43 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 24 1 0 0 0 0 5 31 1 0 0 0 0 6 44 2 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 25 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 41 1 0 0 0 0 10 36 1 0 0 0 0 10 44 1 0 0 0 0 10 47 1 0 0 0 0 11 46 2 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 44 1 0 0 0 0 13 41 2 0 0 0 0 13 46 1 0 0 0 0 14 47 2 0 0 0 0 15 22 1 6 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 6 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 32 2 0 0 0 0 26 33 1 0 0 0 0 27 39 1 0 0 0 0 28 40 2 0 0 0 0 28 65 1 0 0 0 0 29 34 1 0 0 0 0 29 66 1 0 0 0 0 30 35 2 0 0 0 0 30 67 1 0 0 0 0 31 34 2 0 0 0 0 31 35 1 0 0 0 0 32 37 1 0 0 0 0 32 68 1 0 0 0 0 33 38 2 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 39 43 2 0 0 0 0 39 74 1 0 0 0 0 40 43 1 0 0 0 0 40 75 1 0 0 0 0 41 76 1 0 0 0 0 42 45 1 0 0 0 0 42 48 1 0 0 0 0 42 77 1 0 0 0 0 45 49 1 0 0 0 0 45 78 1 0 0 0 0 45 79 1 0 0 0 0 46 80 1 0 0 0 0 47 81 1 0 0 0 0 48 82 1 0 0 0 0 48 83 1 0 0 0 0 48 84 1 0 0 0 0 49 85 1 0 0 0 0 49 86 1 0 0 0 0 49 87 1 0 0 0 0 M END > 55283 > 1 > 1120 > 9 > 0 > 11 > AAADcfB/+AAGAAAAAAAAAAAAAAAAAWJEAAA8YMEAAAAAAAAB1AAAHgIIAAAADD7hmCY33ocIFACqAiRDdACSCAsxp4AfyAAOboifbiLFu5u3OCjtxhPe6CewwKAOBECAAACBAAAIgQAAAQIAAAAAAAAAAA== > 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one > 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-1,2,4-triazol-3-one > 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one > 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one > 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one > 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazino]phenyl]-2-sec-butyl-1,2,4-triazol-3-one > InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1 > VHVPQPYKVGDNFY-ZPGVKDDISA-N > 5.7 > 704.2393071 > C35H38Cl2N8O4 > 705.6 > CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl > CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl > 101 > 704.2393071 > 0 > 49 > 2 > 1 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 44 8 10 47 8 11 46 8 12 14 8 12 44 8 13 41 8 13 46 8 14 47 8 15 22 6 16 24 6 23 27 8 23 28 8 25 29 8 25 30 8 26 32 8 26 33 8 27 39 8 28 40 8 29 34 8 30 35 8 31 34 8 31 35 8 32 37 8 33 38 8 36 37 8 36 38 8 39 43 8 40 43 8 42 48 3 9 11 8 9 41 8 $$$$