(E)-N-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[5-(4-methoxy-3-methyl-phenyl)isoquinolin-8-yl]methyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[5-(4-methoxy-3-methylphenyl)-8-isoquinolinyl]methyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[5-(4-methoxy-3-methyl-phenyl)-8-isoquinolyl]methyl]-3-phenyl-acrylamide Formula: C27H24N2O2 MolecularWeight: 408.49166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)C=CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C27H24N2O2/c1-19-16-21(10-12-26(19)31-2)23-11-9-22(25-18-28-15-14-24(23)25)17-29-27(30)13-8-20-6-4-3-5-7-20/h3-16,18H,17H2,1-2H3,(H,29,30)/b13-8+