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

Systemtic Name: N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-4-phenyl-butanamide Openeye Name: N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-4-phenyl-butanamide CAS Name: N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-4-phenylbutanamide IUPAC Name: N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-4-phenylbutanamide Traditional Name: N-[1-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-4-phenyl-butyramide Formula: C28H35N3O MolecularWeight: 429.597

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(CCN2CCC3=C(C2)C=CC(=C3)C#N)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O/c29-21-24-12-13-26-22-31(18-14-25(26)20-24)19-17-28(15-5-2-6-16-28)30-27(32)11-7-10-23-8-3-1-4-9-23/h1,3-4,8-9,12-13,20H,2,5-7,10-11,14-19,22H2,(H,30,32)