3163399
  -OEChem-05102422202D

 37 39  0     0  0  0  0  0  0999 V2000
    6.3981   -2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.8100    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
    5.5321    1.3100    0.0000 N   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   -0.6900    0.0000 C   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
    7.2641   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.1900    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
    3.8000   -0.6900    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
    7.2641    1.3100    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
    2.9061   -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
    8.9962   -0.6900    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
    5.5321    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.9300    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
    8.6671    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    1.0000    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
    8.6862   -1.2269    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
    9.3062   -0.1531    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
    4.9760    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560    2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 21  2  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  2  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 15  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3163399

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
488

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQAAAADAiBmAAywILAAACoAyVyVACCAAAhAgAIiAEgdJgIYLLAlZGUIAhglADIyAcciMCOCAACAAACACAQAAQAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-methyl-2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-methyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(3-keto-4H-quinoxalin-2-yl)-4-methyl-phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H15N3O2/c1-10-7-8-13(18-11(2)21)12(9-10)16-17(22)20-15-6-4-3-5-14(15)19-16/h3-9H,1-2H3,(H,18,21)(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
KCMPJOZYLYPREI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
293.116426730

> <PUBCHEM_MOLECULAR_FORMULA>
C17H15N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
293.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(C=C1)NC(=O)C)C2=NC3=CC=CC=C3NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(C=C1)NC(=O)C)C2=NC3=CC=CC=C3NC2=O

> <PUBCHEM_CACTVS_TPSA>
70.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.116426730

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  15  8
11  12  8
11  16  8
12  17  8
14  15  8
16  19  8
17  20  8
19  20  8
3  11  8
3  13  8
4  12  8
4  7  8
6  8  8
6  9  8
7  13  8
8  14  8
9  10  8

$$$$