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

Systemtic Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-phenyl-benzamide Openeye Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-phenyl-benzamide CAS Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-phenylbenzamide IUPAC Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-phenylbenzamide Traditional Name: N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-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(=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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