49792141
  -OEChem-04262410462D

 42 45  0     0  0  0  0  0  0999 V2000
    5.5443    0.8671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4978    5.1219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    2.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    3.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1871    4.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    4.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    5.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7479    1.6718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475    3.1719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804    4.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    4.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6689    5.9175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.7912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.6382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.8651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2 15  2  0  0  0  0
  3 24  1  0  0  0  0
  3 26  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 31  1  0  0  0  0
  5 18  1  0  0  0  0
  5 25  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
 10 14  2  0  0  0  0
 10 27  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 16 21  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 33  1  0  0  0  0
 19 22  1  0  0  0  0
 19 34  1  0  0  0  0
 20 23  2  0  0  0  0
 20 35  1  0  0  0  0
 21 25  1  0  0  0  0
 21 36  1  0  0  0  0
 22 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49792141

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
478

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAEgB/AAAHgAQAAAADAzhmgY+xtLIFECoAr131ACCiCA1IiAI2CE+bNgMJv7MtZuGOWjm9BHI6Ye82fKOgEACAAAIAAAAgAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-methoxyphenyl)-3-(3-pyridyl)benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-methoxyphenyl)-3-(3-pyridinyl)-7-benzofurancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-methoxyphenyl)-3-pyridin-3-yl-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(4-methoxyphenyl)-3-pyridin-3-yl-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-methoxyphenyl)-3-pyridin-3-yl-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-methoxyphenyl)-3-(3-pyridyl)benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H16N2O3/c1-25-16-9-7-15(8-10-16)23-21(24)18-6-2-5-17-19(13-26-20(17)18)14-4-3-11-22-12-14/h2-13H,1H3,(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
WUBLALSSEJQFKQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
344.11609238

> <PUBCHEM_MOLECULAR_FORMULA>
C21H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
344.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2OC=C3C4=CN=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)NC(=O)C2=CC=CC3=C2OC=C3C4=CN=CC=C4

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
344.11609238

> <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>
1  12  8
1  7  8
10  14  8
11  16  8
11  18  8
13  14  8
16  21  8
17  19  8
17  20  8
19  22  8
20  23  8
21  25  8
22  24  8
23  24  8
5  18  8
5  25  8
6  10  8
6  7  8
6  8  8
7  9  8
8  12  8
9  13  8

$$$$