53383353
  -OEChem-05052422522D

 52 56  0     1  0  0  0  0  0999 V2000
    4.5981    0.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1667    4.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1488    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6488    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
    4.5702    1.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5702    3.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    1.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6641    2.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9757    2.7420    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
    2.8660   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    3.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1448    4.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7578   -0.7896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212   -1.6158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1711   -1.6158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.5633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3038    0.2594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773    0.4942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773    3.8034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    1.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1284    2.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1046    2.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2615    3.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3970    4.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -4.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -4.3512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 14  2  0  0  0  0
  3 21  1  0  0  0  0
  3 30  1  0  0  0  0
  4 29  1  0  0  0  0
  4 31  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  6 38  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 20  1  0  0  0  0
 17 39  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 22  1  0  0  0  0
 19 40  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 25  2  0  0  0  0
 22 42  1  0  0  0  0
 23 26  1  0  0  0  0
 23 43  1  0  0  0  0
 24 27  2  0  0  0  0
 24 44  1  0  0  0  0
 25 28  1  0  0  0  0
 25 45  1  0  0  0  0
 26 29  2  0  0  0  0
 26 46  1  0  0  0  0
 27 29  1  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383353

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
714

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAGAAAASAAAAAwYIAAAAAAAACB0AAAHgAQAAAADSzhkAYyxoPABECoAa1y1ASCCAAlIgAIiAGufNgMZr7MtbuWOSjm9hHI6Ye4SAAIAEAAAAAAACAAgAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H21N3O4/c1-30-17-12-10-16(11-13-17)25-23(28)22(15-8-9-15)27-19-6-3-2-5-18(19)26-21(24(27)29)20-7-4-14-31-20/h2-7,10-15,22H,8-9H2,1H3,(H,25,28)

> <PUBCHEM_IUPAC_INCHIKEY>
MIRJTHXBAQJUGP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
415.15320616

> <PUBCHEM_MOLECULAR_FORMULA>
C24H21N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
415.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)NC(=O)C(C2CC2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)NC(=O)C(C2CC2)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
84.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
415.15320616

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
11  12  3
13  15  8
13  17  8
14  16  8
15  19  8
17  20  8
18  23  8
18  24  8
19  22  8
20  22  8
21  25  8
23  26  8
24  27  8
25  28  8
26  29  8
27  29  8
28  30  8
3  21  8
3  30  8
5  13  8
5  14  8
7  15  8
7  16  8

$$$$