49789628
  -OEChem-05042402082D

 46 49  0     0  0  0  0  0  0999 V2000
    2.0000   -3.9366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    0.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5386    3.1260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5403    4.1260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    1.8681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    2.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0006    3.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5898    4.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3466    2.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.3166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.5193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.8290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.9617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.9617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.0192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.3290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.9116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.9116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -3.0443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.1266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.2534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    1.0634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.8734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3806    3.6297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3992    5.0266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9813    2.0358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8476    2.1715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7119    3.0378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 15  1  0  0  0  0
  2 21  1  0  0  0  0
  3 13  2  0  0  0  0
  4 10  1  0  0  0  0
  4 13  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 25  1  0  0  0  0
  6 24  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
 19 23  2  0  0  0  0
 20 22  2  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49789628

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
469

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWJAAAA0QAAAAAAAAEgB/AAAHgAYAAAADQzhngY+htLIBECqA7131ACSDAAlogAY2KE8bNgMJr7M9duGvWjm/hHI6Ye82fCOgAACAAAIAAAAAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-methylpyrazol-3-yl)-N-(tetrahydropyran-4-ylmethyl)benzofuran-7-carboxamide

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-methylpyrazol-3-yl)-N-(tetrahydropyran-4-ylmethyl)benzofuran-7-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H21N3O3/c1-22-17(5-8-21-22)16-12-25-18-14(16)3-2-4-15(18)19(23)20-11-13-6-9-24-10-7-13/h2-5,8,12-13H,6-7,9-11H2,1H3,(H,20,23)

> <PUBCHEM_IUPAC_INCHIKEY>
GQXCSQUAKSMAEU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
339.15829154

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
339.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C(=CC=N1)C2=COC3=C2C=CC=C3C(=O)NCC4CCOCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C(=CC=N1)C2=COC3=C2C=CC=C3C(=O)NCC4CCOCC4

> <PUBCHEM_CACTVS_TPSA>
69.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
339.15829154

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
14  15  8
14  18  8
15  16  8
16  17  8
16  20  8
17  21  8
18  22  8
19  23  8
2  15  8
2  21  8
20  22  8
23  24  8
5  19  8
5  6  8
6  24  8

$$$$