
 CHEMBL213491

 70 74  0  0  0  0  0  0  0  0999 V2000
    1.1854    0.9062   -0.4635 C   0  0  0  0  0
    2.3202   -0.1279   -0.4592 C   0  0  0  0  0
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    1.0377   -1.7627   -1.1031 H   0  0  0  0  0
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    4.2173    0.1931   -2.7596 H   0  0  0  0  0
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    7.9359   -2.7467   -5.0513 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL213491

>  <PubChem CID>
10256914

>  <Formula>
C31H32Cl2N4O

>  <Molecular Weight>
547.524000

>  <IUPAC Name>
2-[6-(3-cyanophenyl)-1'-propan-2-ylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N1CCC2(CC1)C3=C(CCN2CC(=O)NC4=CC(=CC(=C4)Cl)Cl)C=C(C=C3)C5=CC=CC(=C5)C#N

>  <Isomeric SMILES>
CC(C)N1CCC2(CC1)C3=C(CCN2CC(=O)NC4=CC(=CC(=C4)Cl)Cl)C=C(C=C3)C5=CC=CC(=C5)C#N

>  <InChI Std. ID>
InChI=1S/C31H32Cl2N4O/c1-21(2)36-12-9-31(10-13-36)29-7-6-24(23-5-3-4-22(14-23)19-34)15-25(29)8-11-37(31)20-30(38)35-28-17-26(32)16-27(33)18-28/h3-7,14-18,21H,8-13,20H2,1-2H3,(H,35,38)

>  <InChI Key>
AIHWMRGISSLYBL-UHFFFAOYSA-N

