54581984
  -OEChem-04192402052D

 37 40  0     0  0  0  0  0  0999 V2000
    9.9078   -0.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0987    1.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2622    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0987   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9078    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0769   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5769    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5769   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0769    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5094   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5094    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6380   -2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0367   -0.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7344   -1.6442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3291   -2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1935    1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1935   -1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3291    2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -0.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -1.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  1  0  0  0  0
  2 22  1  0  0  0  0
  3 23  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 19 31  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54581984

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
461

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAASJAAAA8QAAAAAAAAACx/gAAHgAQAAAACAyhlgIyxLLIFECoAa1y1ASCiCQnMiAImCG2fNgOZvrE9fuXPajm1BHY6cfb2aOQAACAAAQAACAAAQAACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2,3-bis(2-furyl)quinoxalin-6-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2,3-bis(2-furanyl)-6-quinoxalinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2,3-bis(furan-2-yl)quinoxalin-6-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2,3-bis(2-furyl)quinoxalin-6-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H13N3O3/c1-11(22)19-12-6-7-13-14(10-12)21-18(16-5-3-9-24-16)17(20-13)15-4-2-8-23-15/h2-10H,1H3,(H,19,22)

> <PUBCHEM_IUPAC_INCHIKEY>
WSVHHESJMVHQGF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
319.09569129

> <PUBCHEM_MOLECULAR_FORMULA>
C18H13N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
319.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CO3)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CO3)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
81.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
319.09569129

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  13  8
1  21  8
11  12  8
12  16  8
13  17  8
14  18  8
15  16  8
17  19  8
18  20  8
19  21  8
2  14  8
2  22  8
20  22  8
4  7  8
4  9  8
5  10  8
5  8  8
7  11  8
7  8  8
8  15  8
9  10  8

$$$$