4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-(4-methoxyphenyl)isoquinolin-1-one

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-2-(4-methoxyphenyl)isoquinolin-1-one Openeye Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoquinolin-1-one CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-(4-methoxyphenyl)-1-isoquinolinone IUPAC Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoquinolin-1-one Traditional Name: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isocarbostyril Formula: C27H24FN3O3 MolecularWeight: 457.496163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H24FN3O3/c1-34-22-12-10-21(11-13-22)31-18-25(23-4-2-3-5-24(23)27(31)33)26(32)30-16-14-29(15-17-30)20-8-6-19(28)7-9-20/h2-13,18H,14-17H2,1H3