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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

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