60160281
  -OEChem-04232419232D

 41 43  0     0  0  0  0  0  0999 V2000
    2.0000    1.1690    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6279    1.0350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.9737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.6357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.6970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    1.0350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1279   -1.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179   -0.3679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453   -0.9091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356   -1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    1.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0453    1.2471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5202   -1.3076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2105   -0.9091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2105    1.2471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5202    1.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.5630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3179   -1.2340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2105   -0.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5202   -0.0864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8179   -2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4379   -2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4379   -1.0261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 13  2  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  4 32  1  0  0  0  0
  5 12  2  0  0  0  0
  5 15  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  2  0  0  0  0
 16 34  1  0  0  0  0
 17 20  2  0  0  0  0
 17 35  1  0  0  0  0
 18 21  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60160281

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
411

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgIQAAAADQrBFyQx0LfJkACoASZidACCgC2hF6AJmaA4dpiIaKLBm5GUIAholgLIyCcQAAAKAABAAAIAACAAAIAABAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-allyl-4-(6-chloro-1H-benzimidazol-2-yl)piperidine-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(6-chloro-1H-benzimidazol-2-yl)-N-prop-2-enyl-1-piperidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(6-chloro-1<I>H</I>-benzimidazol-2-yl)-<I>N</I>-prop-2-enylpiperidine-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
4-(6-chloro-1H-benzimidazol-2-yl)-N-prop-2-enylpiperidine-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(6-chloranyl-1H-benzimidazol-2-yl)-N-prop-2-enyl-piperidine-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-allyl-4-(6-chloro-1H-benzimidazol-2-yl)piperidine-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H19ClN4O/c1-2-7-18-16(22)21-8-5-11(6-9-21)15-19-13-4-3-12(17)10-14(13)20-15/h2-4,10-11H,1,5-9H2,(H,18,22)(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
VAGGXUCVHQWTTQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
318.1247389

> <PUBCHEM_MOLECULAR_FORMULA>
C16H19ClN4O

> <PUBCHEM_MOLECULAR_WEIGHT>
318.80

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCNC(=O)N1CCC(CC1)C2=NC3=C(N2)C=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCNC(=O)N1CCC(CC1)C2=NC3=C(N2)C=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
61

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
318.1247389

> <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>
14  15  8
14  16  8
15  17  8
16  19  8
17  20  8
19  20  8
4  12  8
4  14  8
5  12  8
5  15  8

$$$$