4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-1-one Traditional Name: 6,7-dimethoxy-4-(4-piperonylpiperazine-1-carbonyl)-2-p-phenetyl-isocarbostyril Formula: C32H33N3O7 MolecularWeight: 571.62032

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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)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C32H33N3O7/c1-4-40-23-8-6-22(7-9-23)35-19-26(24-16-28(38-2)29(39-3)17-25(24)32(35)37)31(36)34-13-11-33(12-14-34)18-21-5-10-27-30(15-21)42-20-41-27/h5-10,15-17,19H,4,11-14,18,20H2,1-3H3