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

Systemtic Name: 4-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-2-ethyl-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-2-ethyl-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one Traditional Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-isocarbostyril Formula: C26H29N3O5 MolecularWeight: 463.52556

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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=C(C=C4)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O5/c1-5-27-16-22(20-14-23(33-3)24(34-4)15-21(20)25(27)31)26(32)29-12-10-28(11-13-29)19-8-6-18(7-9-19)17(2)30/h6-9,14-16H,5,10-13H2,1-4H3