4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-isobutyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-isobutyl-6,7-dimethoxy-isocarbostyril Formula: C27H32ClN3O4 MolecularWeight: 498.01368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN(C(=O)C4=CC(=C(C=C43)OC)OC)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN(C(=O)C4=CC(=C(C=C43)OC)OC)CC(C)C

InChI

InChI=1S/C27H32ClN3O4/c1-17(2)15-31-16-22(20-13-24(34-4)25(35-5)14-21(20)26(31)32)27(33)30-10-8-29(9-11-30)23-12-19(28)7-6-18(23)3/h6-7,12-14,16-17H,8-11,15H2,1-5H3