
 CHEMBL233404

 53 56  0  0  0  0  0  0  0  0999 V2000
    4.6324    6.9710    2.0065 C   0  0  0  0  0
    4.4552    5.4901    1.8459 C   0  0  0  0  0
    5.2314    4.7754    0.9232 C   0  0  0  0  0
    5.0317    3.4002    0.7197 C   0  0  0  0  0
    4.0548    2.7423    1.4812 C   0  0  0  0  0
    3.2724    3.4473    2.3948 C   0  0  0  0  0
    3.4637    4.8173    2.5679 C   0  0  0  0  0
    5.8251    2.6441   -0.3302 C   0  0  0  0  0
    5.2617    2.6389   -1.6955 N   0  0  0  0  0
    5.3025    3.9595   -2.3275 C   0  0  0  0  0
    4.7899    3.9248   -3.7674 C   0  0  0  0  0
    3.3947    3.3052   -3.8580 C   0  0  0  0  0
    3.4004    1.9308   -3.1897 C   0  0  0  0  0
    3.9376    2.0083   -1.7600 C   0  0  0  0  0
    2.3938    4.1884   -3.2586 N   0  0  0  0  0
    1.1109    4.3162   -3.7545 C   0  0  0  0  0
    0.7144    3.7284   -4.7517 O   0  0  0  0  0
    0.2301    5.2575   -2.9917 C   0  0  0  0  0
    0.8135    6.4525   -2.5286 C   0  0  0  0  0
    0.0552    7.3879   -1.8357 C   0  0  0  0  0
   -1.2970    7.1492   -1.6125 C   0  0  0  0  0
   -1.9113    5.9744   -2.0754 C   0  0  0  0  0
   -3.2827    5.7753   -1.8446 C   0  0  0  0  0
   -3.9259    4.6202   -2.2872 C   0  0  0  0  0
   -3.2016    3.6469   -2.9583 C   0  0  0  0  0
   -1.8364    3.8295   -3.1950 C   0  0  0  0  0
   -1.1531    4.9980   -2.7742 C   0  0  0  0  0
    5.6509    7.2764    1.7453 H   0  0  0  0  0
    4.4578    7.2725    3.0445 H   0  0  0  0  0
    3.9289    7.5030    1.3585 H   0  0  0  0  0
    5.9912    5.2969    0.3442 H   0  0  0  0  0
    3.8836    1.6762    1.3486 H   0  0  0  0  0
    2.5043    2.9301    2.9642 H   0  0  0  0  0
    2.8346    5.3570    3.2720 H   0  0  0  0  0
    5.9538    1.6053    0.0029 H   0  0  0  0  0
    6.8476    3.0440   -0.3602 H   0  0  0  0  0
    6.3356    4.3280   -2.3449 H   0  0  0  0  0
    4.7118    4.6908   -1.7657 H   0  0  0  0  0
    4.7808    4.9431   -4.1748 H   0  0  0  0  0
    5.4859    3.3408   -4.3833 H   0  0  0  0  0
    3.1364    3.1793   -4.9161 H   0  0  0  0  0
    2.3903    1.5043   -3.1775 H   0  0  0  0  0
    4.0295    1.2466   -3.7739 H   0  0  0  0  0
    3.2077    2.5498   -1.1480 H   0  0  0  0  0
    3.9989    0.9869   -1.3649 H   0  0  0  0  0
    2.5713    4.5339   -2.3238 H   0  0  0  0  0
    1.8584    6.6761   -2.7311 H   0  0  0  0  0
    0.5106    8.3100   -1.4831 H   0  0  0  0  0
   -1.8776    7.8978   -1.0775 H   0  0  0  0  0
   -3.8683    6.5263   -1.3191 H   0  0  0  0  0
   -4.9894    4.4859   -2.1074 H   0  0  0  0  0
   -3.6944    2.7426   -3.3081 H   0  0  0  0  0
   -1.3092    3.0404   -3.7277 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 27  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
 24 25  2  0  0  0
 24 51  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 27  2  0  0  0
 26 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233404

>  <PubChem CID>
44431474

>  <Formula>
C24H26N2O

>  <Molecular Weight>
358.485000

>  <IUPAC Name>
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]naphthalene-1-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC(=CC=C1)CN2CCC(CC2)NC(=O)C3=CC=CC4=CC=CC=C43

>  <Isomeric SMILES>
CC1=CC(=CC=C1)CN2CCC(CC2)NC(=O)C3=CC=CC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C24H26N2O/c1-18-6-4-7-19(16-18)17-26-14-12-21(13-15-26)25-24(27)23-11-5-9-20-8-2-3-10-22(20)23/h2-11,16,21H,12-15,17H2,1H3,(H,25,27)

>  <InChI Key>
ABLMFJDRLGQBCM-UHFFFAOYSA-N

