10869644
  -OEChem-05072406402D

 34 36  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
    8.1301    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
    8.9962    1.3100    0.0000 N   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   -0.1900    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   -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
    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
    8.1301   -0.1900    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
    2.9061   -0.1553    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
    8.9962    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.8100    0.0000 C   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
    7.2641   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.5000    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
    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
    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
    9.5331    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1722    2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5522    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 20  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 17  2  0  0  0  0
 11 15  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 27  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10869644

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
452

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQAAAADAiBmAAywILAAACoAyVyVACCAAAhAgAIiAEgdJgIYLLAlZGUIAhglADIyAcYiICOCAAAAAAAACAQAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13N3O2/c1-10(20)17-12-8-6-11(7-9-12)15-16(21)19-14-5-3-2-4-13(14)18-15/h2-9H,1H3,(H,17,20)(H,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
GMKWKROQLGAJDO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
279.100776666

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
279.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2=O

> <PUBCHEM_CACTVS_TPSA>
70.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
279.100776666

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
11  15  8
12  16  8
13  15  8
13  16  8
14  18  8
17  19  8
18  19  8
3  10  8
3  8  8
4  6  8
4  9  8
6  10  8
7  11  8
7  12  8
8  14  8
8  9  8
9  17  8

$$$$