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

Systemtic Name: 6,7-diethoxy-1-(4-ethylphenyl)-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 6,7-diethoxy-1-(4-ethylphenyl)-2-(p-tolyl)-1,4-dihydroisoquinolin-3-one CAS Name: 6,7-diethoxy-1-(4-ethylphenyl)-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 6,7-diethoxy-1-(4-ethylphenyl)-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 6,7-diethoxy-1-(4-ethylphenyl)-2-(p-tolyl)-1,4-dihydroisoquinolin-3-one Formula: C28H31NO3 MolecularWeight: 429.55064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)C)OCC)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)C)OCC)OCC

InChI

InChI=1S/C28H31NO3/c1-5-20-10-12-21(13-11-20)28-24-18-26(32-7-3)25(31-6-2)16-22(24)17-27(30)29(28)23-14-8-19(4)9-15-23/h8-16,18,28H,5-7,17H2,1-4H3