53383352
  -OEChem-05251313182D

 55 59  0     1  0  0  0  0  0999 V2000
    3.5827    1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    4.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -3.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    3.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.1488    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1808    1.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747    1.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747    3.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    3.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    1.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    2.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    2.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    4.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -4.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517    0.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0675    0.4942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0675    3.8034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    1.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    2.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1797   -0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -2.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1797   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5098   -3.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    4.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -3.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3158   -1.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0248   -4.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -4.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2649   -4.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 19  1  0  0  0  0
  3 30  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  7 40  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 35  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  2  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
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 36  1  0  0  0  0
 16 22  1  0  0  0  0
 16 37  1  0  0  0  0
 17 23  2  0  0  0  0
 17 38  1  0  0  0  0
 18 21  1  0  0  0  0
 18 39  1  0  0  0  0
 19 26  2  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 25  2  0  0  0  0
 22 43  1  0  0  0  0
 23 25  1  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 29  1  0  0  0  0
 26 46  1  0  0  0  0
 27 31  1  0  0  0  0
 27 47  1  0  0  0  0
 28 32  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  2  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 33  2  0  0  0  0
 31 51  1  0  0  0  0
 32 33  1  0  0  0  0
 32 52  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383352

> <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>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAACB1AAAHgAQAAAADCzhmAYyxoPABECoA61y1ASCCAAlIgAIiAGufNgMZr7MtbuWOSjm9hHI6Ye4yICOAEAAAAAAACAAgAAAAAAAQAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H21N3O4/c1-33-20-15-13-19(14-16-20)28-26(31)25(18-8-3-2-4-9-18)30-22-11-6-5-10-21(22)29-24(27(30)32)23-12-7-17-34-23/h2-17,25H,1H3,(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
UPILGPMBXICULR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
451.153206

> <PUBCHEM_MOLECULAR_FORMULA>
C27H21N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
451.47334

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
84.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
451.153206

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
10  17  8
11  14  8
13  18  8
15  20  8
16  22  8
17  23  8
18  21  8
19  26  8
20  21  8
22  25  8
23  25  8
24  27  8
24  28  8
26  29  8
27  31  8
28  32  8
29  30  8
3  19  8
3  30  8
31  33  8
32  33  8
5  11  8
5  9  8
6  13  8
6  14  8
8  12  3
9  13  8
9  15  8

$$$$