54586128
  -OEChem-05132412232D

 51 55  0     0  0  0  0  0  0999 V2000
   14.2436   -0.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4346    1.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0718   -2.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5980   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5980    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -0.5275    0.0000 N   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
    8.9320   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8381   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8381    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9320    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0679   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4346   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2436    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4128   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9128    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9128   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4128    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8452   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8452    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3963    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9392   -1.5073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7362   -1.5042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1976    0.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998    0.7779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -1.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9739   -2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3725   -0.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937    1.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002   -0.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6649   -2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5294    1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5294   -1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6649    2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    0.9882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.1404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -0.0833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 30  1  0  0  0  0
  2 19  1  0  0  0  0
  2 31  1  0  0  0  0
  3 17  2  0  0  0  0
  4 27  1  0  0  0  0
  4 32  1  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 16  1  0  0  0  0
  7 17  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 14  1  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 20  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 39  1  0  0  0  0
 22 26  2  0  0  0  0
 22 40  1  0  0  0  0
 23 28  1  0  0  0  0
 23 41  1  0  0  0  0
 24 29  1  0  0  0  0
 24 42  1  0  0  0  0
 25 27  2  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 26 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>
54586128

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
626

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAA8YIAAAAAAAACx/gAAHgAQAAAADAzhngYyxrLIFECoA61y1ASCiCQnMiAImKG+fNgOZvrEtbuXOajmxhHY6cff2aOeKAAAQAAAACBQAACAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3-bis(2-furyl)-N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2,3-bis(2-furanyl)-N-[(4-methoxyphenyl)methyl]-6-quinoxalinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3-bis(furan-2-yl)-<I>N</I>-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
2,3-bis(furan-2-yl)-N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3-bis(furan-2-yl)-N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
FGNUIGQJWATDJP-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=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)CNC(=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  18  8
1  30  8
10  13  8
10  15  8
11  12  8
14  15  8
18  23  8
19  24  8
2  19  8
2  31  8
20  21  8
20  22  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  14  8

$$$$