49778664
  -OEChem-04232411522D

 39 41  0     0  0  0  0  0  0999 V2000
    6.4103    0.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6743    3.9881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7238    4.2988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    2.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6726    2.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1346    3.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4843    4.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6139    0.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.7355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1735    2.6228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5146    3.4919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -3.1571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.4668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.2645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.4919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.1822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8479    4.0723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9866    4.9381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1208    5.0767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.8845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.1114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 16  2  0  0  0  0
  3 20  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 17  1  0  0  0  0
  4 21  1  0  0  0  0
  5 16  1  0  0  0  0
  5 19  1  0  0  0  0
  5 31  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  2  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49778664

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
393

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAEgB/AAAHgAYAAAADAThmgY+htLIBECqArl31ACSDAA1oAAY2KEsTNgOJr7M9VuHvWjm/hHY6Ye82fKOgAACAAAIAAAAAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-methoxyethyl)-3-(1-methyl-4-pyrazolyl)-7-benzofurancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H17N3O3/c1-19-9-11(8-18-19)14-10-22-15-12(14)4-3-5-13(15)16(20)17-6-7-21-2/h3-5,8-10H,6-7H2,1-2H3,(H,17,20)

> <PUBCHEM_IUPAC_INCHIKEY>
BALCGPPJBBVKJP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.4

> <PUBCHEM_EXACT_MASS>
299.12699141

> <PUBCHEM_MOLECULAR_FORMULA>
C16H17N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
299.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C=C(C=N1)C2=COC3=C2C=CC=C3C(=O)NCCOC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C=C(C=N1)C2=COC3=C2C=CC=C3C(=O)NCCOC

> <PUBCHEM_CACTVS_TPSA>
69.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
299.12699141

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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  13  8
1  9  8
10  14  8
11  17  8
11  18  8
12  15  8
14  15  8
4  17  8
4  6  8
6  18  8
7  12  8
7  8  8
7  9  8
8  13  8
9  10  8

$$$$