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

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

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

Isomeric SMILES

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

InChI

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