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

Systemtic Name: 2-(4-chlorophenyl)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 2-(4-chlorophenyl)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydroisoquinolin-3-one CAS Name: 2-(4-chlorophenyl)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 2-(4-chlorophenyl)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 2-(4-chlorophenyl)-6,7-diethoxy-1-p-phenetyl-1,4-dihydroisoquinolin-3-one Formula: C27H28ClNO4 MolecularWeight: 465.96852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)Cl)OCC)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=C(C=C4)Cl)OCC)OCC

InChI

InChI=1S/C27H28ClNO4/c1-4-31-22-13-7-18(8-14-22)27-23-17-25(33-6-3)24(32-5-2)15-19(23)16-26(30)29(27)21-11-9-20(28)10-12-21/h7-15,17,27H,4-6,16H2,1-3H3