49792726
  -OEChem-05112402552D

 50 52  0     1  0  0  0  0  0999 V2000
    5.4641   -4.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128   -1.6682    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -2.8706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    2.8318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7788    4.3706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.8706    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8301   -2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3083   -2.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4993   -1.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1448    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1448    1.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2788    1.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0878    3.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4698    3.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    4.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4153   -1.5439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3285   -2.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3731   -3.2793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9283   -2.6627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8093   -0.7245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9977   -0.8970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -3.9777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6669   -4.4552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1445   -3.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4909   -1.7508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8894   -1.0605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -3.8456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -3.8456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8759    0.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6818    0.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.3957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.3957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8759    1.6418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6818    1.6418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.8337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.6806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.9076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6775    3.2280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8802    3.2280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1433    4.8722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 36  1  0  0  0  0
  4 20  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 23  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  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
 10 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  1  0  0  0  0
 15 39  1  0  0  0  0
 16 19  2  0  0  0  0
 16 40  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  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
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  2  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49792726

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
422

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAAABwAAAHgAQAAAADgjBmgQ/0JfMEACoAjV3dACCgC0xEqAJyIEYdIiIaHrA2ZGUIAholgLIyCcUgAAPCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-N-propyl-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-[[4-(1-imidazolyl)phenyl]methyl]-3-methyl-N-propyl-3-pyrrolidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-<I>N</I>-propylpyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-N-propyl-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-imidazol-1-ylbenzyl)-3-methyl-N-propyl-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H26N4O/c1-3-9-21-18(24)19(2)8-11-22(14-19)13-16-4-6-17(7-5-16)23-12-10-20-15-23/h4-7,10,12,15H,3,8-9,11,13-14H2,1-2H3,(H,21,24)

> <PUBCHEM_IUPAC_INCHIKEY>
LDYBYZOUMULULX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
326.21066147

> <PUBCHEM_MOLECULAR_FORMULA>
C19H26N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
326.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCNC(=O)C1(CCN(C1)CC2=CC=C(C=C2)N3C=CN=C3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCNC(=O)C1(CCN(C1)CC2=CC=C(C=C2)N3C=CN=C3)C

> <PUBCHEM_CACTVS_TPSA>
50.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
326.21066147

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
13  16  8
15  18  8
16  19  8
18  20  8
19  20  8
22  24  8
4  22  8
4  23  8
5  23  8
5  24  8
6  10  3

$$$$