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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCC2C3=C(CCN2)C=C(C=C3)C#N)NC(=O)C4=CC=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)(CCC2C3=C(CCN2)C=C(C=C3)C#N)NC(=O)C4=CC=CC(=C4)C5=CC=CC=C5

InChI

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