1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one

Systemtic Name: 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one Openeye Name: 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one CAS Name: 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one IUPAC Name: 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one Traditional Name: 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-6,7-diethoxy-1,4-dihydroisoquinolin-3-one Formula: C27H28ClNO3 MolecularWeight: 449.96912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClNO3/c1-5-31-24-14-20-15-26(30)29(22-12-7-17(3)18(4)13-22)27(19-8-10-21(28)11-9-19)23(20)16-25(24)32-6-2/h7-14,16,27H,5-6,15H2,1-4H3