3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3,4-dihydroisocarbostyril Formula: C29H30FN3O4 MolecularWeight: 503.564603

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C29H30FN3O4/c1-31-27(19-8-13-24(36-2)25(18-19)37-3)26(22-6-4-5-7-23(22)28(31)34)29(35)33-16-14-32(15-17-33)21-11-9-20(30)10-12-21/h4-13,18,26-27H,14-17H2,1-3H3