55726438
  -OEChem-04262404182D

 51 54  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
    7.2641    0.4827    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
    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
    8.1301   -1.0173    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
    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
    6.3981   -2.0173    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
    5.5321    0.4827    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
    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
    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    1.9480    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
    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
    2.0000    2.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -0.5173    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
    6.3981   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.4827    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
    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    1.3280    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
    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
    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
    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
    6.3981   -4.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.6373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4592    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.6027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3 15  2  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 35  1  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  6 39  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 22  2  0  0  0  0
 17 37  1  0  0  0  0
 18 23  1  0  0  0  0
 18 38  1  0  0  0  0
 19 25  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 26  2  0  0  0  0
 21 42  1  0  0  0  0
 22 26  1  0  0  0  0
 22 43  1  0  0  0  0
 23 25  2  0  0  0  0
 23 44  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 29  1  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 31  2  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55726438

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
682

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADCjBmAQwwIPAAACoAjVzVACCAAAhAgAIiIGIdIgIYDLAlbGUIAhglgDIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-N,2-diphenyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[1-oxo-2-(2-oxo-1-quinoxalinyl)ethyl]amino]-N,2-diphenylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-<I>N</I>,2-diphenylacetamide

> <PUBCHEM_IUPAC_NAME>
2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]-N,2-diphenylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(2-oxidanylidenequinoxalin-1-yl)ethanoylamino]-N,2-diphenyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[2-(2-ketoquinoxalin-1-yl)acetyl]amino]-N,2-diphenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H20N4O3/c29-21(16-28-20-14-8-7-13-19(20)25-15-22(28)30)27-23(17-9-3-1-4-10-17)24(31)26-18-11-5-2-6-12-18/h1-15,23H,16H2,(H,26,31)(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
QMWJCAQHLVWNIY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
412.15354051

> <PUBCHEM_MOLECULAR_FORMULA>
C24H20N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
412.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4N=CC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4N=CC3=O

> <PUBCHEM_CACTVS_TPSA>
90.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
412.15354051

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  16  8
10  17  8
11  14  8
11  18  8
14  19  8
15  20  8
16  21  8
17  22  8
18  23  8
19  25  8
21  26  8
22  26  8
23  25  8
24  27  8
24  28  8
27  29  8
28  30  8
29  31  8
30  31  8
4  11  8
4  15  8
7  14  8
7  20  8
8  13  3

$$$$