6,7-diethoxy-2-(4-methoxyphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 6,7-diethoxy-2-(4-methoxyphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 6,7-diethoxy-2-(4-methoxyphenyl)-1-(m-tolyl)-1,4-dihydroisoquinolin-3-one CAS Name: 6,7-diethoxy-2-(4-methoxyphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 6,7-diethoxy-2-(4-methoxyphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 6,7-diethoxy-2-(4-methoxyphenyl)-1-(m-tolyl)-1,4-dihydroisoquinolin-3-one Formula: C27H29NO4 MolecularWeight: 431.52346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(C(=O)CC2=C1)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)C)OCC

InChI

InChI=1S/C27H29NO4/c1-5-31-24-15-20-16-26(29)28(21-10-12-22(30-4)13-11-21)27(19-9-7-8-18(3)14-19)23(20)17-25(24)32-6-2/h7-15,17,27H,5-6,16H2,1-4H3