53383348
  -OEChem-05122402342D

 59 63  0     1  0  0  0  0  0999 V2000
    8.0622    1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1488    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
    9.7942   -1.8512    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
    6.3301    3.1488    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    0.1488    0.0000 C   0  0  3  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   -0.3512    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   -0.3512    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
    7.1962   -1.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.1488    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
    8.0622    3.1488    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   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.3512    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
    8.9282   -1.3512    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
    8.9757    2.7420    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
    9.6448    3.4852    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
    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
    2.8660   -2.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.8512    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
    5.7932    0.4588    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
    6.6592   -1.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7688    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
    6.0010   -1.6612    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
    8.0622   -2.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.0412    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
    9.1046    2.1356    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
   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
    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
    9.1742   -2.8512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142   -2.8512    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 13  2  0  0  0  0
  3 20  1  0  0  0  0
  3 31  1  0  0  0  0
  4 25  1  0  0  0  0
  4 35  1  0  0  0  0
  5 34  1  0  0  0  0
  5 36  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  8 42  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 37  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 38  1  0  0  0  0
 17 22  1  0  0  0  0
 17 39  1  0  0  0  0
 18 23  2  0  0  0  0
 18 40  1  0  0  0  0
 19 24  1  0  0  0  0
 19 41  1  0  0  0  0
 20 27  2  0  0  0  0
 21 24  2  0  0  0  0
 21 43  1  0  0  0  0
 22 25  2  0  0  0  0
 22 44  1  0  0  0  0
 23 25  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 47  1  0  0  0  0
 28 32  1  0  0  0  0
 28 48  1  0  0  0  0
 29 33  2  0  0  0  0
 29 49  1  0  0  0  0
 30 31  2  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 34  2  0  0  0  0
 32 52  1  0  0  0  0
 33 34  1  0  0  0  0
 33 53  1  0  0  0  0
 35 54  1  0  0  0  0
 35 55  1  0  0  0  0
 35 56  1  0  0  0  0
 36 57  1  0  0  0  0
 36 58  1  0  0  0  0
 36 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383348

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
803

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAAwYMEAAAAAAACB1AAAHgAQAAAADCzhmAYyxoPABECoA61y1ASCCAAlIgAIiAGufNgMZr7MtbuWOSjm9hHI6Ye42IOOIEAAAAAAACBAgAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H23N3O5/c1-34-20-13-9-18(10-14-20)26(27(32)29-19-11-15-21(35-2)16-12-19)31-23-7-4-3-6-22(23)30-25(28(31)33)24-8-5-17-36-24/h3-17,26H,1-2H3,(H,29,32)

> <PUBCHEM_IUPAC_INCHIKEY>
AFWYPFVOZWTPKH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
481.16377084

> <PUBCHEM_MOLECULAR_FORMULA>
C28H23N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
481.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
93.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
481.16377084

> <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>
10  14  8
10  16  8
11  17  8
11  18  8
12  15  8
14  19  8
16  21  8
17  22  8
18  23  8
19  24  8
20  27  8
21  24  8
22  25  8
23  25  8
26  28  8
26  29  8
27  30  8
28  32  8
29  33  8
3  20  8
3  31  8
30  31  8
32  34  8
33  34  8
6  10  8
6  12  8
7  14  8
7  15  8
9  13  3

$$$$