53383107
  -OEChem-06181317582D

 58 61  0     1  0  0  0  0  0999 V2000
    7.1962    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    1.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2241    3.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856   -2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    0.5954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2169    3.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    1.4171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6659    3.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -5.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -4.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 13  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 40  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  2  0  0  0  0
  6 26  2  0  0  0  0
  6 27  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 33  1  0  0  0  0
  8 15  1  0  0  0  0
  8 18  2  0  0  0  0
 10 19  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 34  1  0  0  0  0
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 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
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 14 17  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 25  1  0  0  0  0
 17 41  1  0  0  0  0
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 18 23  1  0  0  0  0
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 19 26  1  0  0  0  0
 19 44  1  0  0  0  0
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 21 24  1  0  0  0  0
 21 46  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 47  1  0  0  0  0
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 25 49  1  0  0  0  0
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 26 52  1  0  0  0  0
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 28 54  1  0  0  0  0
 29 31  2  0  0  0  0
 29 55  1  0  0  0  0
 30 32  2  0  0  0  0
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 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383107

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
667

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACB0AAAHgAQAAAADCjBmgQ+wJPIEACoAzV3VACCgCAxAiAI2KG4dJgIYPLAlbGUIAhglgDIyAcYiYCOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-oxo-3-phenyl-quinoxalin-1-yl)-N-pentyl-2-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-oxo-3-phenyl-1-quinoxalinyl)-N-pentyl-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_NAME>
2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-2-pyridin-4-ylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-oxidanylidene-3-phenyl-quinoxalin-1-yl)-N-pentyl-2-pyridin-4-yl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-amyl-2-(2-keto-3-phenyl-quinoxalin-1-yl)-2-(4-pyridyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H26N4O2/c1-2-3-9-16-28-25(31)24(20-14-17-27-18-15-20)30-22-13-8-7-12-21(22)29-23(26(30)32)19-10-5-4-6-11-19/h4-8,10-15,17-18,24H,2-3,9,16H2,1H3,(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
SYPOGEMLAHWMPZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
426.205576

> <PUBCHEM_MOLECULAR_FORMULA>
C26H26N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
426.51024

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCNC(=O)C(C1=CC=NC=C1)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCNC(=O)C(C1=CC=NC=C1)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
74.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
426.205576

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  19  8
10  20  8
13  16  8
15  21  8
18  23  8
19  26  8
20  27  8
21  24  8
22  28  8
22  29  8
23  24  8
28  30  8
29  31  8
3  13  8
3  8  8
30  32  8
31  32  8
5  15  8
5  16  8
6  26  8
6  27  8
7  9  3
8  15  8
8  18  8

$$$$