1602677
  -OEChem-05092409332D

 37 39  0     0  0  0  0  0  0999 V2000
    4.5981   -1.9925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0316   -3.6983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -1.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    1.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -2.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5642    2.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2591    2.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    3.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0528    3.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1023    3.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3277    0.8906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.6125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6139   -0.9925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -0.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    1.1835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    1.4105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    0.5635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028    1.6379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8484    2.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7687    3.2230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5143    3.8017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9745    4.3050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  2  0  0  0  0
  2 14  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3 17  3  0  0  0  0
  4 20  3  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 19 22  2  0  0  0  0
 19 32  1  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1602677

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
635

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7gAAAAAAAAAAAAAAAAAAAAQAAAAA8QAAAAAAAAEABwAAAHAAQAAAADAiBHgAzsJJIEACwByZiZACigCkhACAImCAgRJiIoGLAkZGEIAhggALIyC8QgEAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5Z)-2-amino-5-benzylidene-4,6-dimethyl-cyclopenta[b]pyridine-3,7-dicarbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
(5Z)-2-amino-4,6-dimethyl-5-(phenylmethylene)cyclopenta[b]pyridine-3,7-dicarbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>Z</I>)-2-amino-5-benzylidene-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile

> <PUBCHEM_IUPAC_NAME>
(5Z)-2-amino-5-benzylidene-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5Z)-2-azanyl-4,6-dimethyl-5-(phenylmethylidene)cyclopenta[b]pyridine-3,7-dicarbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z)-2-amino-5-benzal-4,6-dimethyl-1-pyrindine-3,7-dicarbonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H14N4/c1-11-14(8-13-6-4-3-5-7-13)17-12(2)16(10-21)19(22)23-18(17)15(11)9-20/h3-8H,1-2H3,(H2,22,23)/b14-8-

> <PUBCHEM_IUPAC_INCHIKEY>
SFVOCPJKYNOLPR-ZSOIEALJSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
298.121846464

> <PUBCHEM_MOLECULAR_FORMULA>
C19H14N4

> <PUBCHEM_MOLECULAR_WEIGHT>
298.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C2=C(C1=CC3=CC=CC=C3)C(=C(C(=N2)N)C#N)C)C#N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC\1=C(C2=C(/C1=C\C3=CC=CC=C3)C(=C(C(=N2)N)C#N)C)C#N

> <PUBCHEM_CACTVS_TPSA>
86.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.121846464

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
20

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  14  8
1  7  8
12  14  8
16  18  8
16  19  8
18  21  8
19  22  8
21  23  8
22  23  8
5  7  8
5  9  8
9  12  8

$$$$