2-(3-chloranyl-4-methyl-phenyl)-6,7-diethoxy-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 2-(3-chloranyl-4-methyl-phenyl)-6,7-diethoxy-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 2-(3-chloro-4-methyl-phenyl)-6,7-diethoxy-1-(m-tolyl)-1,4-dihydroisoquinolin-3-one CAS Name: 2-(3-chloro-4-methylphenyl)-6,7-diethoxy-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-(3-chloro-4-methylphenyl)-6,7-diethoxy-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 2-(3-chloro-4-methyl-phenyl)-6,7-diethoxy-1-(m-tolyl)-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)Cl)C4=CC(=CC=C4)C)OCC

Isomeric SMILES

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

InChI

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