135735917
  -OEChem-09272320542D

 45 48  0     0  0  0  0  0  0999 V2000
    8.1142   -2.9746    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    0.0254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -2.4746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.0254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161   -0.4746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    1.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    1.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001    2.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021    3.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -1.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    0.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142   -1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802   -0.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802   -1.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7060   -0.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074   -1.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607   -1.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -0.3920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074   -1.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7060   -2.5572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8621   -2.5572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607   -1.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811   -0.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -3.0946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870    1.3354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    1.2160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3406    2.8706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7807    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9836    0.5003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    2.8817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9045    3.7146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7112   -1.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    0.6454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5172   -0.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5172   -1.7846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 33  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 34  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 35  1  0  0  0  0
  5 11  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 17  1  0  0  0  0
 14 36  1  0  0  0  0
 15 18  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 23  2  0  0  0  0
 21 43  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
135735917

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
460

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACxQAAAHAIQAAAADIrBGCQxwILAAACgAiZiZACCAAEhBwAJiIAodogIYCLB25GUIAhgkADIyAcQgAAOAAAAIAAAACAAAABAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3-chlorophenyl)methyl]-2-spiro[1,4-dihydroquinoxaline-3,4'-piperidine]imine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4&apos;-piperidine]-2-imine

> <PUBCHEM_IUPAC_NAME>
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-chlorobenzyl)-spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-ylidene-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H21ClN4/c20-15-5-3-4-14(12-15)13-22-18-19(8-10-21-11-9-19)24-17-7-2-1-6-16(17)23-18/h1-7,12,21,24H,8-11,13H2,(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
YAFQFNOUYXZVPZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
340.1454744

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21ClN4

> <PUBCHEM_MOLECULAR_WEIGHT>
340.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNCCC12C(=NCC3=CC(=CC=C3)Cl)NC4=CC=CC=C4N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNCCC12C(=NCC3=CC(=CC=C3)Cl)NC4=CC=CC=C4N2

> <PUBCHEM_CACTVS_TPSA>
48.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.1454744

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
12  13  8
12  14  8
13  15  8
14  17  8
15  18  8
17  18  8
19  20  8
19  21  8
20  22  8
21  23  8
22  24  8
23  24  8

$$$$