53383164
  -OEChem-04252416332D

 55 59  0     1  0  0  0  0  0999 V2000
    2.9340    0.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5026    4.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    3.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.3988    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8000    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    3.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3116    2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    3.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4808    4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -4.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -4.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1291    0.7088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.7442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    4.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7219   -1.0186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3234   -1.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.5659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -2.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    3.2317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4405    2.3856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -2.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5974    3.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7329    5.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340   -5.2212    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 20  1  0  0  0  0
  3 31  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 40  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 34  3  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 36  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
 12 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 37  1  0  0  0  0
 16 22  1  0  0  0  0
 16 38  1  0  0  0  0
 17 23  2  0  0  0  0
 17 39  1  0  0  0  0
 18 24  1  0  0  0  0
 18 41  1  0  0  0  0
 19 25  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 27  2  0  0  0  0
 21 24  2  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 26  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 34  1  0  0  0  0
 27 30  1  0  0  0  0
 27 48  1  0  0  0  0
 28 32  1  0  0  0  0
 28 49  1  0  0  0  0
 29 33  2  0  0  0  0
 29 50  1  0  0  0  0
 30 31  2  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 35  2  0  0  0  0
 32 53  1  0  0  0  0
 33 35  1  0  0  0  0
 33 54  1  0  0  0  0
 35 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383164

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
850

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAACB1AAAHgAQAAAADCzhmAYwxIPABEC4B61y1ASiCAAlIgAIiIGufNgM5r7MtbuWOSjm9hHI6Y+YyMCOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H20N4O3/c29-17-19-12-14-21(15-13-19)26(27(33)30-18-20-7-2-1-3-8-20)32-23-10-5-4-9-22(23)31-25(28(32)34)24-11-6-16-35-24/h1-16,26H,18H2,(H,30,33)

> <PUBCHEM_IUPAC_INCHIKEY>
GVCBOFCCISVZPO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
460.15354051

> <PUBCHEM_MOLECULAR_FORMULA>
C28H20N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
460.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)C#N)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CNC(=O)C(C2=CC=C(C=C2)C#N)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
98.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
460.15354051

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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>
10  16  8
10  17  8
12  14  8
13  18  8
15  21  8
16  22  8
17  23  8
18  24  8
20  27  8
21  24  8
22  26  8
23  26  8
25  28  8
25  29  8
27  30  8
28  32  8
29  33  8
3  20  8
3  31  8
30  31  8
32  35  8
33  35  8
4  12  8
4  9  8
6  13  8
6  14  8
8  11  3
9  13  8
9  15  8

$$$$