(E)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-3-phenyl-acrylamide Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCN2CCC3=C(C2)C=C(C=C3)C#N)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O/c28-19-23-6-10-24-15-17-30(20-25(24)18-23)16-14-22-7-11-26(12-8-22)29-27(31)13-9-21-4-2-1-3-5-21/h1-6,9-10,13,18,22,26H,7-8,11-12,14-17,20H2,(H,29,31)/b13-9+