53383328
  -OEChem-04252405142D

 61 65  0     1  0  0  0  0  0999 V2000
    3.7320   -0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3007    3.6433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3512    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    0.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    2.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    1.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    2.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1097    2.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.3763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.3763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7880   -1.7686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.4589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -3.9338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113   -0.0058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113    3.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    0.8159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2386    1.6356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282   -3.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5482   -3.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 18  2  0  0  0  0
  3 28  1  0  0  0  0
  3 33  1  0  0  0  0
  4 27  1  0  0  0  0
  4 34  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 46  1  0  0  0  0
  6 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 22  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 13  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 47  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 17 23  2  0  0  0  0
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 20 24  1  0  0  0  0
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 23 29  1  0  0  0  0
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 24 51  1  0  0  0  0
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 26 53  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 32 33  2  0  0  0  0
 32 57  1  0  0  0  0
 33 58  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53383328

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
757

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAACB0AAAHgAQAAAADCzhmAYyxoPABECoA61y1ASCCAAlIgAIiIGufNgMZr7MtbuWOSjm9hHI6YeY2IOOIAAAAAAAACBAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-cyclohexyl-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclohexyl-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-cyclohexyl-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-2-(4-methoxyphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclohexyl-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H27N3O4/c1-33-20-15-13-18(14-16-20)25(26(31)28-19-8-3-2-4-9-19)30-22-11-6-5-10-21(22)29-24(27(30)32)23-12-7-17-34-23/h5-7,10-17,19,25H,2-4,8-9H2,1H3,(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
SLQLDXBHWMZOMU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
457.20015635

> <PUBCHEM_MOLECULAR_FORMULA>
C27H27N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
457.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
84.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
457.20015635

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
14  15  3
16  20  8
16  21  8
17  19  8
17  23  8
18  22  8
19  26  8
20  24  8
21  25  8
23  29  8
24  27  8
25  27  8
26  30  8
28  31  8
29  30  8
3  28  8
3  33  8
31  32  8
32  33  8
6  17  8
6  18  8
7  19  8
7  22  8

$$$$