4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-(4-methoxyphenyl)isoquinolin-1-one

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-(4-methoxyphenyl)isoquinolin-1-one Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoquinolin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-(4-methoxyphenyl)-1-isoquinolinone IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoquinolin-1-one Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isocarbostyril Formula: C27H24ClN3O3 MolecularWeight: 473.95076

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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(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O3/c1-34-22-11-9-20(10-12-22)31-18-25(23-7-2-3-8-24(23)27(31)33)26(32)30-15-13-29(14-16-30)21-6-4-5-19(28)17-21/h2-12,17-18H,13-16H2,1H3