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

Systemtic Name: 6,7-diethoxy-2-(3-fluoranyl-4-methyl-phenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Openeye Name: 6,7-diethoxy-2-(3-fluoro-4-methyl-phenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one CAS Name: 6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one IUPAC Name: 6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Traditional Name: 6,7-diethoxy-2-(3-fluoro-4-methyl-phenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one Formula: C27H28FNO4 MolecularWeight: 449.513923

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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)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H28FNO4/c1-5-32-24-13-19-14-26(30)29(20-10-7-17(3)23(28)15-20)27(22(19)16-25(24)33-6-2)18-8-11-21(31-4)12-9-18/h7-13,15-16,27H,5-6,14H2,1-4H3