53383351
  -OEChem-05132419432D

 54 58  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
    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
    8.9282   -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    2.6488    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
    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
    3.6641    2.6696    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
    8.0622   -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
    8.9757    2.7420    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
    4.5981   -2.8512    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
    9.1448    4.3512    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
    3.7320   -3.3512    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
    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
    3.1284    2.9817    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
    9.1046    2.1356    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
    5.1350   -3.1612    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
    2.3291   -1.5412    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
    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 20  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  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  2  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  7 40  1  0  0  0  0
  8 24  2  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 35  1  0  0  0  0
 10 13  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
 13 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 36  1  0  0  0  0
 17 24  1  0  0  0  0
 17 37  1  0  0  0  0
 18 25  2  0  0  0  0
 18 38  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 29  1  0  0  0  0
 26 45  1  0  0  0  0
 27 31  1  0  0  0  0
 27 46  1  0  0  0  0
 28 32  2  0  0  0  0
 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 33  2  0  0  0  0
 31 50  1  0  0  0  0
 32 33  1  0  0  0  0
 32 51  1  0  0  0  0
 34 52  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383351

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
760

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAASAAAAA8YIEAAAAAAACB9AAAHgAQAAAADCzhmgY+xpPIFECoA7131ASCiCA1IiAI2CG+fNgMZv7MtbuWOSjm9hHI6Ye4SQAKAEAAAAAAACAAgAAAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H20N4O4/c1-33-19-10-8-18(9-11-19)28-25(31)24(17-12-14-27-15-13-17)30-21-6-3-2-5-20(21)29-23(26(30)32)22-7-4-16-34-22/h2-16,24H,1H3,(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
QYFKFMQUVMAHSV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
452.14845513

> <PUBCHEM_MOLECULAR_FORMULA>
C26H20N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
452.5

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

> <PUBCHEM_CACTVS_TPSA>
97

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
452.14845513

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$