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

Systemtic Name: 4-[4-(4-ethanoylphenyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Openeye Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-isobutyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-isoquinolinone IUPAC Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)isoquinolin-1-one Traditional Name: 4-[4-(4-acetylphenyl)piperazine-1-carbonyl]-2-isobutyl-6,7-dimethoxy-isocarbostyril Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O5/c1-18(2)16-31-17-24(22-14-25(35-4)26(36-5)15-23(22)27(31)33)28(34)30-12-10-29(11-13-30)21-8-6-20(7-9-21)19(3)32/h6-9,14-15,17-18H,10-13,16H2,1-5H3