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

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-2-ethyl-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-2-ethyl-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-isocarbostyril Formula: C25H28ClN3O4 MolecularWeight: 469.96052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C25H28ClN3O4/c1-5-27-15-20(18-13-22(32-3)23(33-4)14-19(18)24(27)30)25(31)29-10-8-28(9-11-29)21-12-17(26)7-6-16(21)2/h6-7,12-15H,5,8-11H2,1-4H3