
 CHEMBL181885

 79 82  0  0  0  0  0  0  0  0999 V2000
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    1.8537   11.6979    5.2248 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL181885

>  <PubChem CID>
22888427

>  <Formula>
C32H40N4O3

>  <Molecular Weight>
528.697000

>  <IUPAC Name>
1-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-phenyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)NC3=CC=CC=C3)C=C(C=C2)OCC4=CC=CC=C4)C(C)C

>  <Isomeric SMILES>
CC(C)N(CCNC(=O)C1C2=C(CCN1C(=O)NC3=CC=CC=C3)C=C(C=C2)OCC4=CC=CC=C4)C(C)C

>  <InChI Std. ID>
InChI=1S/C32H40N4O3/c1-23(2)35(24(3)4)20-18-33-31(37)30-29-16-15-28(39-22-25-11-7-5-8-12-25)21-26(29)17-19-36(30)32(38)34-27-13-9-6-10-14-27/h5-16,21,23-24,30H,17-20,22H2,1-4H3,(H,33,37)(H,34,38)

>  <InChI Key>
AXRKVKQBIUAXQE-UHFFFAOYSA-N

