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

Systemtic Name: 2-ethyl-6,7-dimethoxy-4-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-ethyl-6,7-dimethoxy-4-[3-methyl-4-(p-tolyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 2-ethyl-6,7-dimethoxy-4-[[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 2-ethyl-6,7-dimethoxy-4-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 2-ethyl-6,7-dimethoxy-4-[3-methyl-4-(p-tolyl)piperazine-1-carbonyl]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(C(C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(C(C3)C)C4=CC=C(C=C4)C

InChI

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