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

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

C1CCC(CC1)(CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)(CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

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