
 CHEMBL370660

 58 61  0  0  0  0  0  0  0  0999 V2000
    1.9605   -3.0035    2.5462 C   0  0  0  0  0
    2.2343   -1.9779    1.4356 C   0  0  0  0  0
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    0.8939   -4.7778    4.7237 C   0  0  0  0  0
   -1.7188   -7.2312    6.4973 Cl  0  0  0  0  0
    2.4638    0.3427    0.8595 C   0  0  0  0  0
    2.3249    1.8401    1.1743 C   0  0  0  0  0
    3.1698    2.3299    2.3726 C   0  0  0  0  0
    3.1268    3.8910    2.6037 C   0  0  0  0  0
    3.6434    4.5120    1.3353 C   0  0  0  0  0
    4.0531    4.9785    0.3508 N   0  0  0  0  0
    1.6928    4.4398    2.8788 C   0  0  0  0  0
    0.6702    3.6420    3.4277 C   0  0  0  0  0
   -0.6132    4.1497    3.6478 C   0  0  0  0  0
   -0.8984    5.4772    3.3506 C   0  0  0  0  0
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    4.0723    4.2268    3.8005 C   0  0  0  0  0
    3.6165    4.1724    5.1336 C   0  0  0  0  0
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    5.7600    4.9125    5.9737 C   0  0  0  0  0
    6.2502    4.9367    4.6729 C   0  0  0  0  0
    5.4225    4.5890    3.6012 C   0  0  0  0  0
    2.7927   -2.9860    3.2611 H   0  0  0  0  0
    1.9357   -3.9998    2.0872 H   0  0  0  0  0
    3.2623   -2.1293    1.0838 H   0  0  0  0  0
    1.5706   -2.1746    0.5814 H   0  0  0  0  0
    0.0029   -0.2509    1.4809 H   0  0  0  0  0
    0.6114    0.5075    2.9574 H   0  0  0  0  0
   -0.8233   -1.2810    3.6964 H   0  0  0  0  0
   -1.9935   -3.2702    3.7363 H   0  0  0  0  0
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    0.9976   -6.5532    5.9414 H   0  0  0  0  0
    1.9772   -4.7141    4.6546 H   0  0  0  0  0
    1.8878    0.1415   -0.0544 H   0  0  0  0  0
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    1.2677    2.0829    1.3142 H   0  0  0  0  0
    2.6324    2.3751    0.2682 H   0  0  0  0  0
    4.2129    2.0257    2.1945 H   0  0  0  0  0
    2.8655    1.7982    3.2828 H   0  0  0  0  0
    0.8541    2.6097    3.7083 H   0  0  0  0  0
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    2.5974    3.8760    5.3688 H   0  0  0  0  0
    4.0595    4.4942    7.2205 H   0  0  0  0  0
    6.4005    5.1953    6.8048 H   0  0  0  0  0
    7.2797    5.2349    4.4877 H   0  0  0  0  0
    5.8619    4.6235    2.6049 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  2  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  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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 31 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL370660

>  <PubChem CID>
11683328

>  <Formula>
C28H27ClN2

>  <Molecular Weight>
426.988000

>  <IUPAC Name>
5-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-diphenylpentanenitrile

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CC=C1C2=CC=C(C=C2)Cl)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CC=C1C2=CC=C(C=C2)Cl)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C28H27ClN2/c29-27-14-12-23(13-15-27)24-16-20-31(21-17-24)19-7-18-28(22-30,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-16H,7,17-21H2

>  <InChI Key>
SBTDSQSUVHMWSP-UHFFFAOYSA-N

