46944083
  -OEChem-04232407022D

 38 41  0     0  0  0  0  0  0999 V2000
    5.5443    0.1171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    4.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    2.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    2.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    3.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    3.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479    0.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.1119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.7318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475    2.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.2682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804    3.2936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    3.9617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6689    5.1675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.1982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 14  2  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 30  1  0  0  0  0
  4 16  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 13  2  0  0  0  0
  9 25  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 32  1  0  0  0  0
 19 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 23  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46944083

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
435

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAEgB/AAAHgAQAAAADAzhmgY8xtLIFECoAr131ACCiCA1IiAI2CE8bNgMJv7MtZuGOWjm9BHI6Ye82fKOgAACAAAIAAAAAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-phenyl-3-(3-pyridyl)benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-phenyl-3-(3-pyridinyl)-7-benzofurancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-phenyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-phenyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-phenyl-3-pyridin-3-yl-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-phenyl-3-(3-pyridyl)benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H14N2O2/c23-20(22-15-7-2-1-3-8-15)17-10-4-9-16-18(13-24-19(16)17)14-6-5-11-21-12-14/h1-13H,(H,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
SQGLPZWEWBVHIQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
314.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C20H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
314.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2OC=C3C4=CN=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2OC=C3C4=CN=CC=C4

> <PUBCHEM_CACTVS_TPSA>
55.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
314.105527694

> <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  11  8
1  6  8
10  15  8
10  16  8
12  13  8
15  18  8
17  19  8
17  20  8
18  21  8
19  22  8
20  23  8
22  24  8
23  24  8
4  16  8
4  21  8
5  6  8
5  7  8
5  9  8
6  8  8
7  11  8
8  12  8
9  13  8

$$$$