49792762
  -OEChem-04262421292D

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    2.0000   -3.9065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1441    4.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4978    4.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    5.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -5.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    2.7135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804    3.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.2835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.9035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7508    4.1333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0398    1.8966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9154    1.8492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9628    2.7247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837    5.0050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -2.5965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3721    6.0344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6376    6.5132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -5.3696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.4434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5 23  1  0  0  0  0
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  7  9  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
49792762

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
559

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAEgB/AAAHgAQAAAADAzhmgY+xtLIFECoAr131ACCiCA1MiAI2CE+fNgMZv7MtZuWOWjm9BHI6Ye42PCOoAADAAAYAABAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(4-methoxy-2-methyl-phenyl)-N-(6-methoxy-3-pyridyl)benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-7-benzofurancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(4-methoxy-2-methylphenyl)-<I>N</I>-(6-methoxypyridin-3-yl)-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-(4-methoxy-2-methylphenyl)-N-(6-methoxypyridin-3-yl)-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(4-methoxy-2-methyl-phenyl)-N-(6-methoxypyridin-3-yl)-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(4-methoxy-2-methyl-phenyl)-N-(6-methoxy-3-pyridyl)benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H20N2O4/c1-14-11-16(27-2)8-9-17(14)20-13-29-22-18(20)5-4-6-19(22)23(26)25-15-7-10-21(28-3)24-12-15/h4-13H,1-3H3,(H,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
PZVJWRHOVXAELJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
388.14230712

> <PUBCHEM_MOLECULAR_FORMULA>
C23H20N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
388.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC(=C1)OC)C2=COC3=C2C=CC=C3C(=O)NC4=CN=C(C=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC(=C1)OC)C2=COC3=C2C=CC=C3C(=O)NC4=CN=C(C=C4)OC

> <PUBCHEM_CACTVS_TPSA>
73.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
388.14230712

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  10  8
1  13  8
10  11  8
11  16  8
12  18  8
14  17  8
15  20  8
16  17  8
18  21  8
20  21  8
23  24  8
23  25  8
24  27  8
27  28  8
6  25  8
6  28  8
7  13  8
7  8  8
8  10  8
8  14  8
9  12  8
9  15  8

$$$$