24997532
  -OEChem-05092403372D

 32 34  0     0  0  0  0  0  0999 V2000
    7.2641   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -2.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -2.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7272    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.3571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5331    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3  6  1  0  0  0  0
  3 11  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24997532

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
424

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQAAAADAyBmAAwwILAAACoA6VyVACCAAAhAgAIiAEgdIgIYDrIlZGUIAhglADIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-phenylacetyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(1-oxo-2-phenylethyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-phenylacetyl)-1<I>H</I>-quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
3-(2-phenylacetyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(2-phenylethanoyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-phenylacetyl)-1H-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H12N2O2/c19-14(10-11-6-2-1-3-7-11)15-16(20)18-13-9-5-4-8-12(13)17-15/h1-9H,10H2,(H,18,20)

> <PUBCHEM_IUPAC_INCHIKEY>
VGIHQGGRFCZOJF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
264.089877630

> <PUBCHEM_MOLECULAR_FORMULA>
C16H12N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
264.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CC(=O)C2=NC3=CC=CC=C3NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CC(=O)C2=NC3=CC=CC=C3NC2=O

> <PUBCHEM_CACTVS_TPSA>
58.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.089877630

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  16  8
13  17  8
14  18  8
15  19  8
16  17  8
18  20  8
19  20  8
3  11  8
3  6  8
4  7  8
4  8  8
6  12  8
6  8  8
7  11  8
8  13  8
9  14  8
9  15  8

$$$$