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

Systemtic Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3-phenyl-acrylamide Formula: C25H27N3O MolecularWeight: 385.50138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC(=O)C=CC2=CC=CC=C2)N3CCC4=C(C3)C=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1NC(=O)/C=C/C2=CC=CC=C2)N3CCC4=C(C3)C=C(C=C4)C#N

InChI

InChI=1S/C25H27N3O/c26-17-20-6-8-21-14-15-28(18-22(21)16-20)24-11-9-23(10-12-24)27-25(29)13-7-19-4-2-1-3-5-19/h1-8,13,16,23-24H,9-12,14-15,18H2,(H,27,29)/b13-7+