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

Systemtic Name: 6,7-diethoxy-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 6,7-diethoxy-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one CAS Name: 6,7-diethoxy-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 6,7-diethoxy-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 6,7-diethoxy-2-(4-ethylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Formula: C28H31NO4 MolecularWeight: 445.55004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(C3=CC(=C(C=C3CC2=O)OCC)OCC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(C3=CC(=C(C=C3CC2=O)OCC)OCC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H31NO4/c1-5-19-8-12-22(13-9-19)29-27(30)17-21-16-25(32-6-2)26(33-7-3)18-24(21)28(29)20-10-14-23(31-4)15-11-20/h8-16,18,28H,5-7,17H2,1-4H3