54585164
  -OEChem-05102421132D

 51 55  0     0  0  0  0  0  0999 V2000
   12.5116   -0.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7026    1.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.9692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3397   -2.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8660    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -0.5275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1060    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7026   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5116    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6807   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1807    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1807   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6807    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    1.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2071   -1.5073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -1.5042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6642    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4655    0.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8742   -1.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2418   -2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6405   -0.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617    1.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681   -0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.7671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9329   -2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7973    1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7973   -1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9329    2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2123    1.9715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5899    2.5892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9723    1.9668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 30  1  0  0  0  0
  2 20  1  0  0  0  0
  2 31  1  0  0  0  0
  3 21  1  0  0  0  0
  3 32  1  0  0  0  0
  4 18  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 33  1  0  0  0  0
 14 17  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 39  1  0  0  0  0
 23 28  1  0  0  0  0
 23 40  1  0  0  0  0
 24 29  1  0  0  0  0
 24 41  1  0  0  0  0
 25 27  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 30  2  0  0  0  0
 28 45  1  0  0  0  0
 29 31  2  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 31 48  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54585164

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
634

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAA8YIAAAAAAAACx/gAAHgAQAAAADAzhngYyxrLIFECoA61y1ASCiCQnMiAImKG+fNgOZvrEtbuXOajmxhHY6cff2aOeCAAAQAAIACAQAACAABAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3-bis(2-furyl)-N-[(2-methoxyphenyl)methyl]quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2,3-bis(2-furanyl)-N-[(2-methoxyphenyl)methyl]-6-quinoxalinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3-bis(furan-2-yl)-<I>N</I>-[(2-methoxyphenyl)methyl]quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
2,3-bis(furan-2-yl)-N-[(2-methoxyphenyl)methyl]quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3-bis(furan-2-yl)-N-[(2-methoxyphenyl)methyl]quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3-bis(2-furyl)-N-o-anisyl-quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H19N3O4/c1-30-20-7-3-2-6-17(20)15-26-25(29)16-10-11-18-19(14-16)28-24(22-9-5-13-32-22)23(27-18)21-8-4-12-31-21/h2-14H,15H2,1H3,(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
GBXNGLJUFSXPCX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
425.13755610

> <PUBCHEM_MOLECULAR_FORMULA>
C25H19N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
425.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
90.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
425.13755610

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
1  19  8
1  30  8
10  13  8
10  16  8
11  12  8
15  16  8
17  21  8
17  22  8
19  23  8
2  20  8
2  31  8
20  24  8
21  25  8
22  26  8
23  28  8
24  29  8
25  27  8
26  27  8
28  30  8
29  31  8
5  11  8
5  8  8
6  12  8
6  9  8
8  13  8
8  9  8
9  15  8

$$$$