56642992
  -OEChem-04252401402D

 42 45  0     0  0  0  0  0  0999 V2000
    7.1753    2.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636   -1.4921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -1.8988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0413    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9352    1.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9352   -0.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    1.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    0.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -1.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7112    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7112    2.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -2.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -2.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945   -3.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063   -0.0888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9281    2.2558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9281   -1.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    0.4812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9802    2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3770    1.4341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3770   -0.2317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742    1.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772    3.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742    2.9112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334   -3.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424   -3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -1.5141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -2.0659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352   -2.7473    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 20  1  0  0  0  0
  3 25  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 28  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 29  1  0  0  0  0
 14 18  1  0  0  0  0
 14 30  1  0  0  0  0
 15 21  1  0  0  0  0
 15 31  1  0  0  0  0
 16 22  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  2  0  0  0  0
 21 23  2  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 26  1  0  0  0  0
 24 38  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
 27 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56642992

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
661

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6OAAAAAAAAAAAAAAAAAAAASAAAAAwYIAAAAAAAACB0AAAHgAQAAAADAyBmAAyBILABECIAqVSUAKCCAAkIAAIiAHGDMgOJjKEtT+HOSjkxBGYqceZn8LugAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1,4-dioxo-3-phenyl-2-naphthyl)-5-methyl-furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(1,4-dioxo-3-phenyl-2-naphthalenyl)-5-methyl-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1,4-bis(oxidanylidene)-3-phenyl-naphthalen-2-yl]-5-methyl-furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1,4-diketo-3-phenyl-2-naphthyl)-5-methyl-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H15NO4/c1-13-11-12-17(27-13)22(26)23-19-18(14-7-3-2-4-8-14)20(24)15-9-5-6-10-16(15)21(19)25/h2-12H,1H3,(H,23,26)

> <PUBCHEM_IUPAC_INCHIKEY>
GTKNPIPEWJVANP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
357.10010796

> <PUBCHEM_MOLECULAR_FORMULA>
C22H15NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
357.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(O1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(O1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
76.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
357.10010796

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

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

$$$$