54583242
  -OEChem-04262400502D

 47 51  0     0  0  0  0  0  0999 V2000
    2.8602    1.9625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   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
    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
   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
    7.2000   -0.5208    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
    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
   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
    4.6038   -1.0308    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
    3.7359   -0.5342    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
    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
   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
    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
    8.1132   -1.6546    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
    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
    5.4655    0.0925    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
    4.2678    0.7779    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
   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
    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
  1 29  1  0  0  0  0
  2 16  1  0  0  0  0
  2 27  1  0  0  0  0
  3 17  1  0  0  0  0
  3 28  1  0  0  0  0
  4 19  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 37  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 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 12 19  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  2  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 38  1  0  0  0  0
 22 26  1  0  0  0  0
 22 39  1  0  0  0  0
 23 29  1  0  0  0  0
 23 40  1  0  0  0  0
 24 30  2  0  0  0  0
 24 41  1  0  0  0  0
 25 27  2  0  0  0  0
 25 42  1  0  0  0  0
 26 28  2  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 30 46  1  0  0  0  0
 31 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54583242

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
623

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAASJAAAA8YIAAAAAAAACx/gAAHwAQAAAADAzhng4wxLLIFECoA61y1ASCiCQnMiAImKG+fNgOZvrEtbuXOajmxhHY6cff2aOeCAAAQAAAACAQAACAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H16FN3O3/c25-17-5-1-4-15(12-17)14-26-24(29)16-8-9-18-19(13-16)28-23(21-7-3-11-31-21)22(27-18)20-6-2-10-30-20/h1-13H,14H2,(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
PFBDMRFQRDXNNZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
413.11756954

> <PUBCHEM_MOLECULAR_FORMULA>
C24H16FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
413.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)F)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)F)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
81.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
413.11756954

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
10  11  8
12  13  8
12  15  8
14  15  8
16  21  8
17  22  8
2  16  8
2  27  8
20  23  8
20  24  8
21  25  8
22  26  8
23  29  8
24  30  8
25  27  8
26  28  8
29  31  8
3  17  8
3  28  8
30  31  8
5  10  8
5  8  8
6  11  8
6  9  8
8  13  8
8  9  8
9  14  8

$$$$