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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-2-ethyl-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-2-ethyl-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-isocarbostyril Formula: C24H26ClN3O4 MolecularWeight: 455.93394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3O4/c1-4-26-15-20(18-13-21(31-2)22(32-3)14-19(18)23(26)29)24(30)28-10-8-27(9-11-28)17-7-5-6-16(25)12-17/h5-7,12-15H,4,8-11H2,1-3H3