
 CHEMBL513247

 59 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL513247

>  <PubChem CID>
44589862

>  <Formula>
C26H27ClN2O3

>  <Molecular Weight>
450.963000

>  <IUPAC Name>
N-[2-(4-chlorophenyl)ethyl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)isoquinoline-4-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2(CCC1N(CCC3=CC=C(C=C3)Cl)C(=O)C4=CN=CC5=CC=CC=C54)OCCO2

>  <Isomeric SMILES>
C1CC2(CCC1N(CCC3=CC=C(C=C3)Cl)C(=O)C4=CN=CC5=CC=CC=C54)OCCO2

>  <InChI Std. ID>
InChI=1S/C26H27ClN2O3/c27-21-7-5-19(6-8-21)11-14-29(22-9-12-26(13-10-22)31-15-16-32-26)25(30)24-18-28-17-20-3-1-2-4-23(20)24/h1-8,17-18,22H,9-16H2

>  <InChI Key>
DEVBBISJUZSUQK-UHFFFAOYSA-N

