N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-2-phenyl-benzamide

Systemtic Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-2-phenyl-benzamide Openeye Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-2-phenyl-benzamide CAS Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-2-phenylbenzamide IUPAC Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-2-phenylbenzamide Traditional Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-2-phenyl-benzamide Formula: C31H33N3O MolecularWeight: 463.61322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O/c32-21-24-10-13-27-22-34(19-17-26(27)20-24)18-16-23-11-14-28(15-12-23)33-31(35)30-9-5-4-8-29(30)25-6-2-1-3-7-25/h1-10,13,20,23,28H,11-12,14-19,22H2,(H,33,35)