4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-isobutyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-isobutyl-6,7-dimethoxy-isocarbostyril Formula: C26H30ClN3O4 MolecularWeight: 483.9871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClN3O4/c1-17(2)15-30-16-22(20-13-23(33-3)24(34-4)14-21(20)25(30)31)26(32)29-10-8-28(9-11-29)19-7-5-6-18(27)12-19/h5-7,12-14,16-17H,8-11,15H2,1-4H3