
 CHEMBL380793

 54 56  0  0  0  0  0  0  0  0999 V2000
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    1.6177   -3.3809   -2.7914 O   0  0  0  0  0
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    3.2319    0.7755   -3.6404 H   0  0  0  0  0
    2.9746    0.4654   -1.9582 H   0  0  0  0  0
    5.7540   -1.9141   -1.5842 H   0  0  0  0  0
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    8.7189    7.1464   -4.0569 H   0  0  0  0  0
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    5.2270    2.2027   -8.3484 H   0  0  0  0  0
    1.6488   -4.1206   -2.1609 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL380793

>  <PubChem CID>
11660989

>  <Formula>
C23H28N2O

>  <Molecular Weight>
348.490000

>  <IUPAC Name>
5-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylpentanenitrile

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1(CCN(CC1)CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)O

>  <Isomeric SMILES>
CC1(CCN(CC1)CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C23H28N2O/c1-22(26)14-17-25(18-15-22)16-8-13-23(19-24,20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,26H,8,13-18H2,1H3

>  <InChI Key>
QFIUGKSNPZWDNR-UHFFFAOYSA-N

