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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-ethyl-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-ethyl-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-isocarbostyril Formula: C26H31N3O4 MolecularWeight: 449.54204

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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(=C4C)C

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C26H31N3O4/c1-6-27-16-21(19-14-23(32-4)24(33-5)15-20(19)25(27)30)26(31)29-12-10-28(11-13-29)22-9-7-8-17(2)18(22)3/h7-9,14-16H,6,10-13H2,1-5H3