54585165
  -OEChem-05112407192D

 55 59  0     0  0  0  0  0  0999 V2000
   14.2436   -0.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4346    1.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    1.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.8275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0718   -2.1525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000   -0.6558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5980   -1.1284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5980    0.8716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320   -0.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7320    0.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8381   -1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359   -1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8381    0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0679   -1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301   -1.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301    0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -1.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -0.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4346   -2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2436    0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4128   -2.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9128    1.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9128   -1.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4128    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243    2.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9392   -1.6357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7362   -1.6326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8452   -1.7830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8452    1.5263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3963    0.7045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1976   -0.0358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9998    0.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6062   -1.7858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2002   -0.9813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9739   -2.5377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3725   -0.1415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6649   -2.8972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5294    1.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5294   -1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6649    2.6405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0323    2.8689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862    2.6387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164    1.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879    0.8599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.0121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3121   -0.2116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 31  1  0  0  0  0
  2 21  1  0  0  0  0
  2 32  1  0  0  0  0
  3 24  1  0  0  0  0
  3 33  1  0  0  0  0
  4 25  1  0  0  0  0
  4 34  1  0  0  0  0
  5 19  2  0  0  0  0
  6 15  1  0  0  0  0
  6 19  1  0  0  0  0
  6 40  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 14  2  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
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 16 23  1  0  0  0  0
 17 18  2  0  0  0  0
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 18 39  1  0  0  0  0
 20 27  2  0  0  0  0
 21 28  2  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 26  2  0  0  0  0
 23 42  1  0  0  0  0
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 26 43  1  0  0  0  0
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 27 44  1  0  0  0  0
 28 30  1  0  0  0  0
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 29 31  2  0  0  0  0
 29 46  1  0  0  0  0
 30 32  2  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
 33 50  1  0  0  0  0
 33 51  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
54585165

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
681

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASJAAAA8YIAAAAAAAACx/gAAHgAQAAAADAzhngYyxrLIFECoA61y1ASCiCQnMiAImKG+/NgPZvrEtbuXOarmxhHa6cf/2bOeKAABQAAAQCBQAAKAAACAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H21N3O5/c1-31-20-10-7-16(13-23(20)32-2)15-27-26(30)17-8-9-18-19(14-17)29-25(22-6-4-12-34-22)24(28-18)21-5-3-11-33-21/h3-14H,15H2,1-2H3,(H,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
OKBYXASXZHTXBZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
455.14812078

> <PUBCHEM_MOLECULAR_FORMULA>
C26H21N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
455.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5)OC

> <PUBCHEM_CACTVS_TPSA>
99.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
455.14812078

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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  20  8
1  31  8
10  17  8
11  14  8
11  18  8
12  13  8
16  22  8
16  23  8
17  18  8
2  21  8
2  32  8
20  27  8
21  28  8
22  24  8
23  26  8
24  25  8
25  26  8
27  29  8
28  30  8
29  31  8
30  32  8
7  12  8
7  9  8
8  10  8
8  13  8
9  10  8
9  14  8

$$$$