1-(4-chlorophenyl)-6,7-diethoxy-2-(3-fluoranyl-4-methyl-phenyl)-1,4-dihydroisoquinolin-3-one

Systemtic Name: 1-(4-chlorophenyl)-6,7-diethoxy-2-(3-fluoranyl-4-methyl-phenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 1-(4-chlorophenyl)-6,7-diethoxy-2-(3-fluoro-4-methyl-phenyl)-1,4-dihydroisoquinolin-3-one CAS Name: 1-(4-chlorophenyl)-6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 1-(4-chlorophenyl)-6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 1-(4-chlorophenyl)-6,7-diethoxy-2-(3-fluoro-4-methyl-phenyl)-1,4-dihydroisoquinolin-3-one Formula: C26H25ClFNO3 MolecularWeight: 453.933003

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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)F)C4=CC=C(C=C4)Cl)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H25ClFNO3/c1-4-31-23-12-18-13-25(30)29(20-11-6-16(3)22(28)14-20)26(17-7-9-19(27)10-8-17)21(18)15-24(23)32-5-2/h6-12,14-15,26H,4-5,13H2,1-3H3