49850262
  -OEChem-09272320532D

 46 49  0     1  0  0  0  0  0999 V2000
    2.0000    1.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.1297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5356   -3.2446    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660    2.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391   -1.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1546   -1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5151   -3.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8575   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211   -1.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452   -3.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5057   -1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2019   -3.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1246   -3.2446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8028   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6769   -1.1513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9149   -0.9134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9851   -3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7414   -4.0305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4057   -2.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2367   -1.7634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -0.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    0.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3435   -4.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3209   -0.8934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7395   -4.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6150   -4.4526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6642   -3.5772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7116   -3.7069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1968   -2.1227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.0603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.9903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  2  0  0  0  0
  2  5  1  0  0  0  0
  2 46  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5 25  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 17  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
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 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 24  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49850262

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
478

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAUCAAADAjBngQywPNcEACoAyVyVACCgCAlAiAo2CE4ZNgIIPLA1ZGEIQhggADIyYcYiMCOwAAAAAACAACAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzenecarbohydroxamic acid

> <PUBCHEM_IUPAC_CAS_NAME>
N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-hydroxy-4-[(2-methyl-3,4-dihydro-1<I>H</I>-pyrido[4,3-b]indol-5-yl)methyl]benzamide

> <PUBCHEM_IUPAC_NAME>
N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-oxidanyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(2-methyl-3,4-dihydro-1H-pyrid[4,3-b]indol-5-yl)methyl]benzenecarbohydroxamic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)

> <PUBCHEM_IUPAC_INCHIKEY>
GOVYBPLHWIEHEJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
335.16337692

> <PUBCHEM_MOLECULAR_FORMULA>
C20H21N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
335.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO

> <PUBCHEM_CACTVS_TPSA>
57.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.16337692

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  12  8
11  14  8
12  15  8
14  18  8
15  19  8
17  20  8
17  21  8
18  19  8
20  22  8
21  23  8
22  24  8
23  24  8
3  12  8
3  6  8
6  7  8
7  11  8

$$$$