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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-methyl-isoquinolin-1-one Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-isoquinolin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-methyl-1-isoquinolinone IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methylisoquinolin-1-one Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-methyl-isocarbostyril Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O4/c1-25-14-19(17-12-20(30-2)21(31-3)13-18(17)22(25)28)23(29)27-9-7-26(8-10-27)16-6-4-5-15(24)11-16/h4-6,11-14H,7-10H2,1-3H3