56643000
  -OEChem-05062420572D

 39 42  0     0  0  0  0  0  0999 V2000
    6.1808    2.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407   -0.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    1.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7166    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336    2.2558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336   -1.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9856    2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.4812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3825    1.4341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3825   -0.2317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    3.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1797    1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1797    2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.8856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -2.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3 22  1  0  0  0  0
  3 26  1  0  0  0  0
  4 19  2  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  1  0  0  0  0
 14 28  1  0  0  0  0
 15 20  1  0  0  0  0
 15 30  1  0  0  0  0
 16 21  2  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
 21 23  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
 24 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56643000

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
632

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6OAAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHgAQAAAADAyhmAIwBILABECIAq1S0AKCCAAkIAAIiAHGDMgOJjKEtT+HOSjkxBGYqceZn8KOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1,4-dioxo-3-phenyl-2-naphthyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(1,4-dioxo-3-phenyl-2-naphthalenyl)-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(1,4-dioxo-3-phenylnaphthalen-2-yl)furan-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(1,4-dioxo-3-phenylnaphthalen-2-yl)furan-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1,4-bis(oxidanylidene)-3-phenyl-naphthalen-2-yl]furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1,4-diketo-3-phenyl-2-naphthyl)-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H13NO4/c23-19-14-9-4-5-10-15(14)20(24)18(17(19)13-7-2-1-3-8-13)22-21(25)16-11-6-12-26-16/h1-12H,(H,22,25)

> <PUBCHEM_IUPAC_INCHIKEY>
YYXUXKMDBSHMOQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
343.08445790

> <PUBCHEM_MOLECULAR_FORMULA>
C21H13NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
343.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
76.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.08445790

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
12  15  8
12  16  8
13  17  8
14  18  8
15  20  8
16  21  8
17  18  8
20  23  8
21  23  8
22  24  8
24  25  8
25  26  8
3  22  8
3  26  8
8  13  8
8  9  8
9  14  8

$$$$