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

Systemtic Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl-isoquinolin-1-one Openeye Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-one CAS Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[[4-(2-methoxyphenyl)-1-piperazinyl]-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]isoquinolin-1-one Traditional Name: 6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-p-phenetyl-isocarbostyril Formula: C31H33N3O6 MolecularWeight: 543.61022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C31H33N3O6/c1-5-40-22-12-10-21(11-13-22)34-20-25(23-18-28(38-3)29(39-4)19-24(23)31(34)36)30(35)33-16-14-32(15-17-33)26-8-6-7-9-27(26)37-2/h6-13,18-20H,5,14-17H2,1-4H3