(E)-N-methyl-4-[1-oxidanylidene-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]but-3-enamide

Systemtic Name: (E)-N-methyl-4-[1-oxidanylidene-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]but-3-enamide Openeye Name: (E)-N-methyl-4-[1-oxo-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]but-3-enamide CAS Name: (E)-N-methyl-4-[1-oxo-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]-3-butenamide IUPAC Name: (E)-N-methyl-4-[1-oxo-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]but-3-enamide Traditional Name: (E)-4-[1-keto-2-(3-phenylpropyl)-3,4-dihydroisoquinolin-6-yl]-N-methyl-but-3-enamide Formula: C23H26N2O2 MolecularWeight: 362.46474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC=CC1=CC2=C(C=C1)C(=O)N(CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C/C=C/C1=CC2=C(C=C1)C(=O)N(CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O2/c1-24-22(26)11-5-9-19-12-13-21-20(17-19)14-16-25(23(21)27)15-6-10-18-7-3-2-4-8-18/h2-5,7-9,12-13,17H,6,10-11,14-16H2,1H3,(H,24,26)/b9-5+