
 CHEMBL2179696

 59 62  0  0  0  0  0  0  0  0999 V2000
    2.0492    4.7982   -4.0038 C   0  0  0  0  0
    1.7749    3.4697   -3.2925 C   0  0  0  0  0
    2.3660    2.3016   -4.0796 C   0  0  0  0  0
    2.2503    3.4532   -1.9072 N   0  0  0  0  0
    1.6982    2.7413   -0.8683 C   0  0  0  0  0
    0.5974    1.8733   -0.7946 C   0  0  0  0  0
    0.3033    1.3012    0.4471 C   0  0  0  0  0
    1.0773    1.5842    1.5702 C   0  0  0  0  0
    2.1709    2.4520    1.4818 C   0  0  0  0  0
    2.4870    3.0390    0.2400 C   0  0  0  0  0
    3.4792    3.9420   -0.2384 C   0  0  0  0  0
    3.3420    4.1680   -1.5621 N   0  0  0  0  0
    4.5472    4.5936    0.5376 C   0  0  0  0  0
    4.7223    4.4099    1.7383 O   0  0  0  0  0
    5.3211    5.4416   -0.2258 N   0  0  0  0  0
    6.4444    6.1860    0.2874 C   0  0  0  0  0
    6.2527    7.7012    0.1373 C   0  0  0  0  0
    7.5410    8.4294    0.5457 C   0  0  0  0  0
    7.3535    9.9473    0.5542 C   0  0  0  0  0
    6.2393   10.4036    1.3958 N   0  0  0  0  0
    4.9924    9.7489    0.9669 C   0  0  0  0  0
    5.0599    8.2167    0.9591 C   0  0  0  0  0
    6.4624   10.2254    2.8421 C   0  0  0  0  0
    7.6552   10.9815    3.3910 C   0  0  0  0  0
    7.5807   12.3593    3.6363 C   0  0  0  0  0
    8.6802   13.0457    4.1567 C   0  0  0  0  0
    9.8683   12.3659    4.4221 C   0  0  0  0  0
    9.9588   10.9989    4.1705 C   0  0  0  0  0
    8.8575   10.3096    3.6625 C   0  0  0  0  0
    1.6446    5.6408   -3.4325 H   0  0  0  0  0
    1.5819    4.8072   -4.9942 H   0  0  0  0  0
    3.1229    4.9700   -4.1413 H   0  0  0  0  0
    0.6866    3.3481   -3.2414 H   0  0  0  0  0
    3.4582    2.3674   -4.1328 H   0  0  0  0  0
    1.9746    2.2859   -5.1022 H   0  0  0  0  0
    2.1152    1.3432   -3.6119 H   0  0  0  0  0
   -0.0113    1.6440   -1.6630 H   0  0  0  0  0
   -0.5431    0.6240    0.5376 H   0  0  0  0  0
    0.8321    1.1277    2.5264 H   0  0  0  0  0
    2.7712    2.6675    2.3626 H   0  0  0  0  0
    5.0823    5.4684   -1.2156 H   0  0  0  0  0
    7.3174    5.8610   -0.2895 H   0  0  0  0  0
    6.6251    5.9209    1.3351 H   0  0  0  0  0
    6.0539    7.9263   -0.9199 H   0  0  0  0  0
    8.3457    8.1720   -0.1539 H   0  0  0  0  0
    7.8699    8.0856    1.5335 H   0  0  0  0  0
    8.2914   10.4377    0.8364 H   0  0  0  0  0
    7.1664   10.2834   -0.4748 H   0  0  0  0  0
    4.1554   10.0789    1.5946 H   0  0  0  0  0
    4.7487   10.0976   -0.0456 H   0  0  0  0  0
    5.1188    7.8395    1.9872 H   0  0  0  0  0
    4.1240    7.8266    0.5410 H   0  0  0  0  0
    6.5536    9.1684    3.1185 H   0  0  0  0  0
    5.5803   10.5919    3.3855 H   0  0  0  0  0
    6.6617   12.9009    3.4237 H   0  0  0  0  0
    8.6101   14.1122    4.3530 H   0  0  0  0  0
   10.7242   12.9019    4.8231 H   0  0  0  0  0
   10.8859   10.4683    4.3698 H   0  0  0  0  0
    8.9428    9.2425    3.4732 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
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 13 14  2  0  0  0
 15 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2179696

>  <PubChem CID>
21252899

>  <Formula>
C24H30N4O

>  <Molecular Weight>
390.531000

>  <IUPAC Name>
N-[(1-benzylpiperidin-4-yl)methyl]-1-propan-2-ylindazole-3-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCC3CCN(CC3)CC4=CC=CC=C4

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NCC3CCN(CC3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H30N4O/c1-18(2)28-22-11-7-6-10-21(22)23(26-28)24(29)25-16-19-12-14-27(15-13-19)17-20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3,(H,25,29)

>  <InChI Key>
CMIVYQMRCKQJTA-UHFFFAOYSA-N

