53383331
  -OEChem-05092414002D

 63 68  0     1  0  0  0  0  0999 V2000
    4.6340   -0.3166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981    0.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2026    3.6779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0001   -1.6827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660    0.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660    2.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660   -0.3166    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5000   -0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320   -0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    1.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    1.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981   -0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981   -2.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    2.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2320    2.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3220   -2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6061    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9641   -0.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9641   -1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1141   -3.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6061    2.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3140   -3.3650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981    2.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    1.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2161   -3.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0116    2.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6808    3.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1808    3.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3100   -1.1457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3924   -3.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826   -2.7607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826   -0.6045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923   -0.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -2.7607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -3.1592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -0.2060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -0.6045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -1.2841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -2.0811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -2.2196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8291   -0.0066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0981    0.3034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7887   -2.0072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132    0.0288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5010   -0.5066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5010   -2.1266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6546   -3.6619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132    3.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7759   -3.6730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1643    0.8505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2185   -4.5058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1643    2.5163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1405    1.6702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2974    2.9550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4329    4.4522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 18  2  0  0  0  0
  3 30  1  0  0  0  0
  3 36  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 48  1  0  0  0  0
  5 13  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 37  1  0  0  0  0
  8 10  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 11  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 12  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 23  2  0  0  0  0
 17 21  1  0  0  0  0
 17 24  2  0  0  0  0
 18 22  1  0  0  0  0
 19 25  1  0  0  0  0
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 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  2  0  0  0  0
 22 30  1  0  0  0  0
 23 29  1  0  0  0  0
 23 51  1  0  0  0  0
 24 31  1  0  0  0  0
 24 52  1  0  0  0  0
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 26 54  1  0  0  0  0
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 27 55  1  0  0  0  0
 28 33  1  0  0  0  0
 28 56  1  0  0  0  0
 29 32  2  0  0  0  0
 29 57  1  0  0  0  0
 30 34  2  0  0  0  0
 31 33  2  0  0  0  0
 31 58  1  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
 34 35  1  0  0  0  0
 34 61  1  0  0  0  0
 35 36  2  0  0  0  0
 35 62  1  0  0  0  0
 36 63  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383331

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
837

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAAwYMGCAAAAAADB1AAAHgAQAAAADCzhmAYwxMPABECoA61y1ASCCAAlIgAIiIGufNgMZr7MtbuWOSjm9hHI6YeYyMCOgAACAAAQACAAAAQAACAAQAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-cyclohexyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-naphthalen-1-ylacetamide

> <PUBCHEM_IUPAC_NAME>
N-cyclohexyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-naphthalen-1-ylacetamide

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H27N3O3/c34-29(31-21-12-2-1-3-13-21)28(23-15-8-11-20-10-4-5-14-22(20)23)33-25-17-7-6-16-24(25)32-27(30(33)35)26-18-9-19-36-26/h4-11,14-19,21,28H,1-3,12-13H2,(H,31,34)

> <PUBCHEM_IUPAC_INCHIKEY>
BHQOILQQNYFTMM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6

> <PUBCHEM_EXACT_MASS>
477.20524173

> <PUBCHEM_MOLECULAR_FORMULA>
C30H27N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
477.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)NC(=O)C(C2=CC=CC3=CC=CC=C32)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)NC(=O)C(C2=CC=CC3=CC=CC=C32)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
477.20524173

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
13  14  3
15  16  8
15  19  8
16  20  8
16  23  8
17  21  8
17  24  8
18  22  8
19  25  8
20  26  8
20  27  8
21  28  8
23  29  8
24  31  8
25  26  8
27  32  8
28  33  8
29  32  8
3  30  8
3  36  8
30  34  8
31  33  8
34  35  8
35  36  8
5  17  8
5  18  8
6  21  8
6  22  8

$$$$