67001405
  -OEChem-05102401102D

 28 30  0     0  0  0  0  0  0999 V2000
    3.7320    1.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.1864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2009   -2.3273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241   -0.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -1.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    2.3619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.5401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  2  0  0  0  0
  3 15  1  0  0  0  0
  4 19  3  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  0  0  0  0
 13 23  1  0  0  0  0
 14 17  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67001405

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
442

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBwAAAHgAQAAAADAjBngQ8wJLIEAC4BzV3VACigCAxAiAI2CE4ZNgIoHLA1dGEJAhglADIyY8YiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-oxo-3-phenyl-1H-1,6-naphthyridine-5-carbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
2-oxo-3-phenyl-1H-1,6-naphthyridine-5-carbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-oxo-3-phenyl-1<I>H</I>-1,6-naphthyridine-5-carbonitrile

> <PUBCHEM_IUPAC_NAME>
2-oxo-3-phenyl-1H-1,6-naphthyridine-5-carbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-oxidanylidene-3-phenyl-1H-1,6-naphthyridine-5-carbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-keto-3-phenyl-1H-1,6-naphthyridine-5-carbonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H9N3O/c16-9-14-12-8-11(10-4-2-1-3-5-10)15(19)18-13(12)6-7-17-14/h1-8H,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
GSXVPHXNFRTGND-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
247.074561919

> <PUBCHEM_MOLECULAR_FORMULA>
C15H9N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
247.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CC3=C(C=CN=C3C#N)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CC3=C(C=CN=C3C#N)NC2=O

> <PUBCHEM_CACTVS_TPSA>
65.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
247.074561919

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  15  8
13  16  8
14  17  8
16  18  8
17  18  8
2  10  8
2  7  8
3  11  8
3  15  8
5  10  8
5  8  8
6  11  8
6  7  8
6  8  8
7  12  8
9  13  8
9  14  8

$$$$