56809712
  -OEChem-05072405052D

 41 43  0     1  0  0  0  0  0999 V2000
    6.3981    0.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.4827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.0173    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.3973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    1.0903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    0.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.3280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -2.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -2.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    3.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    3.8156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -3.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -3.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   -0.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 14  2  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 29  1  0  0  0  0
  6 13  1  0  0  0  0
  6 20  2  0  0  0  0
  7 16  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 30  1  0  0  0  0
 17 23  1  0  0  0  0
 17 31  1  0  0  0  0
 18 24  2  0  0  0  0
 18 32  1  0  0  0  0
 19 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 25  2  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56809712

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
557

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAQAAAADCjBmAQwwIPAAACoAjVzVACCAAAhAgAIiIGIdIgIYDLAlbGUIAhglgDIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-2-phenyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[1-oxo-2-(2-oxo-1-quinoxalinyl)ethyl]amino]-2-phenylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-2-phenylacetamide

> <PUBCHEM_IUPAC_NAME>
2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-2-phenylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(2-oxidanylidenequinoxalin-1-yl)ethanoylamino]-2-phenyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[2-(2-ketoquinoxalin-1-yl)acetyl]amino]-2-phenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16N4O3/c19-18(25)17(12-6-2-1-3-7-12)21-15(23)11-22-14-9-5-4-8-13(14)20-10-16(22)24/h1-10,17H,11H2,(H2,19,25)(H,21,23)

> <PUBCHEM_IUPAC_INCHIKEY>
ADYIBHOBVPDZID-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
336.12224039

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
336.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(C(=O)N)NC(=O)CN2C3=CC=CC=C3N=CC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(C(=O)N)NC(=O)CN2C3=CC=CC=C3N=CC2=O

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
336.12224039

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  13  8
10  15  8
11  17  8
11  18  8
13  19  8
14  20  8
15  21  8
17  23  8
18  24  8
19  22  8
21  22  8
23  25  8
24  25  8
4  10  8
4  14  8
6  13  8
6  20  8
8  16  3

$$$$