67229443
  -OEChem-05062423222D

 33 35  0     0  0  0  0  0  0999 V2000
    7.2622   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9101   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1501   -2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121    1.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.0862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    0.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7252    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67229443

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
384

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAAAAAADAiBmAQywIMAAACoAyVyVACCAAAhAgAIiAEodJgIYLLAlZGUIAhghgDIyAcYiICOCAAAQAAAACAQAACAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,6-dimethyl-3-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1,6-dimethyl-3-phenyl-2-quinoxalinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,6-dimethyl-3-phenylquinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
1,6-dimethyl-3-phenylquinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,6-dimethyl-3-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,6-dimethyl-3-phenyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2O/c1-11-8-9-14-13(10-11)17-15(16(19)18(14)2)12-6-4-3-5-7-12/h3-10H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
CMGKQVJYCJLFJJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
250.110613074

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
250.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1)N(C(=O)C(=N2)C3=CC=CC=C3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1)N(C(=O)C(=N2)C3=CC=CC=C3)C

> <PUBCHEM_CACTVS_TPSA>
32.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
250.110613074

> <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>
10  12  8
11  15  8
11  16  8
15  17  8
16  18  8
17  19  8
18  19  8
2  4  8
2  7  8
3  5  8
3  6  8
4  5  8
4  8  8
5  9  8
6  7  8
8  12  8
9  10  8

$$$$