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

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisocarbostyril Formula: C28H28FN3O3 MolecularWeight: 473.538623

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=CC=CC=C4F)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H28FN3O3/c1-30-26(19-11-13-20(35-2)14-12-19)25(21-7-3-4-8-22(21)27(30)33)28(34)32-17-15-31(16-18-32)24-10-6-5-9-23(24)29/h3-14,25-26H,15-18H2,1-2H3