68745155
  -OEChem-05052414472D

 53 55  0     1  0  0  0  0  0999 V2000
    5.5336    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2002    3.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6643    6.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8701    4.6200    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.9323    3.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5303    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9565    5.0267    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2874    4.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    3.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7656    3.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7486    6.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6021    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976    6.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4918    6.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4682    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6021    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    7.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2839    7.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3328    7.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3342    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4682    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3342    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0662    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0662    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9323    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7983    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7983    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6643    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4384    5.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8725    4.7443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7858    3.9192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    3.1654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790    2.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8304    3.0089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3856    3.6255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1346    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3376    5.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368    5.8990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0814    6.4824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4682    5.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0652    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7446    8.0670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2039    8.5676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8711    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4682    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5293    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9323    5.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3352    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0673    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5303    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5336    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 53  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 29  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 24  2  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  6 51  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 39  1  0  0  0  0
 15 19  2  0  0  0  0
 15 40  1  0  0  0  0
 16 21  1  0  0  0  0
 16 41  1  0  0  0  0
 17 22  2  0  0  0  0
 17 42  1  0  0  0  0
 18 20  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 23  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68745155

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
500

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHgAQAAAADCzBmgQ8hpNIFACoAjF3VACCiCA1IiAI2CE+bNgMJvrE9ZuOOajkwBHI6ceY1YIOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
6-[4-[(2-phenyl-1-pyrrolidinyl)methyl]phenoxy]-3-pyridinecarboxamide;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_NAME>
6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-[4-[(2-phenylpyrrolidin-1-yl)methyl]phenoxy]pyridine-3-carboxamide;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-[4-[(2-phenylpyrrolidino)methyl]phenoxy]nicotinamide;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H23N3O2.ClH/c24-23(27)19-10-13-22(25-15-19)28-20-11-8-17(9-12-20)16-26-14-4-7-21(26)18-5-2-1-3-6-18;/h1-3,5-6,8-13,15,21H,4,7,14,16H2,(H2,24,27);1H

> <PUBCHEM_IUPAC_INCHIKEY>
LCSNAEMMOMIQNW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
409.1557047

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
409.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(N(C1)CC2=CC=C(C=C2)OC3=NC=C(C=C3)C(=O)N)C4=CC=CC=C4.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(N(C1)CC2=CC=C(C=C2)OC3=NC=C(C=C3)C(=O)N)C4=CC=CC=C4.Cl

> <PUBCHEM_CACTVS_TPSA>
68.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
409.1557047

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  14  8
12  15  8
13  16  8
13  17  8
14  18  8
15  19  8
16  21  8
17  22  8
18  20  8
19  20  8
21  23  8
22  23  8
24  25  8
25  26  8
26  27  8
27  28  8
5  24  8
5  28  8
7  12  3

$$$$