56671035
  -OEChem-05042412392D

 57 60  0     1  0  0  0  0  0999 V2000
    6.3981    1.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    2.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    4.7327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2673    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2641    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    4.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    4.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    4.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    4.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -4.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6626    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8656    0.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555    1.8403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    1.1501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.8527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    5.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.3873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    4.5656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    4.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    5.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0881    5.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -1.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350   -4.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291   -4.5773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -5.3873    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  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 39  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 16  1  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  6 43  1  0  0  0  0
  7 15  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  2  0  0  0  0
 15 21  2  0  0  0  0
 16 17  1  0  0  0  0
 17 27  1  0  0  0  0
 18 24  1  0  0  0  0
 18 40  1  0  0  0  0
 19 25  2  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 26  1  0  0  0  0
 21 44  1  0  0  0  0
 22 26  2  0  0  0  0
 22 45  1  0  0  0  0
 23 29  2  0  0  0  0
 23 30  1  0  0  0  0
 24 28  2  0  0  0  0
 24 46  1  0  0  0  0
 25 28  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 29 31  1  0  0  0  0
 29 53  1  0  0  0  0
 30 32  2  0  0  0  0
 30 54  1  0  0  0  0
 31 33  2  0  0  0  0
 31 55  1  0  0  0  0
 32 33  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56671035

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
740

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADCjBmAQywIPAAACoAyVyVACCAAAhAgAIiIGYdIgIYDLAkbGUIAhglgDIyAcYiICOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[2-(3-methyl-2-oxo-quinoxalin-1-yl)acetyl]amino]-N,3-diphenyl-propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[2-(3-methyl-2-oxo-1-quinoxalinyl)-1-oxoethyl]amino]-N,3-diphenylpropanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-<I>N</I>,3-diphenylpropanamide

> <PUBCHEM_IUPAC_NAME>
2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-N,3-diphenylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(3-methyl-2-oxidanylidene-quinoxalin-1-yl)ethanoylamino]-N,3-diphenyl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[2-(2-keto-3-methyl-quinoxalin-1-yl)acetyl]amino]-N,3-diphenyl-propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24N4O3/c1-18-26(33)30(23-15-9-8-14-21(23)27-18)17-24(31)29-22(16-19-10-4-2-5-11-19)25(32)28-20-12-6-3-7-13-20/h2-15,22H,16-17H2,1H3,(H,28,32)(H,29,31)

> <PUBCHEM_IUPAC_INCHIKEY>
NIDUKJJGNGSXIT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
440.18484064

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
440.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC(CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
90.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
440.18484064

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
11  18  8
11  19  8
13  15  8
13  20  8
15  21  8
16  17  8
18  24  8
19  25  8
20  22  8
21  26  8
22  26  8
23  29  8
23  30  8
24  28  8
25  28  8
29  31  8
30  32  8
31  33  8
32  33  8
5  13  8
5  16  8
7  15  8
7  17  8
8  9  3

$$$$