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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)C=CC2=CC=CC=C2)CN3CCC4=C(C3)C=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1CNC(=O)/C=C/C2=CC=CC=C2)CN3CCC4=C(C3)C=C(C=C4)C#N

InChI

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