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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-ethyl-6,7-dimethoxy-isoquinolin-1-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-isoquinolin-1-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-ethyl-6,7-dimethoxy-1-isoquinolinone IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxyisoquinolin-1-one Traditional Name: 2-ethyl-6,7-dimethoxy-4-(4-piperonylpiperazine-1-carbonyl)isocarbostyril Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N3O6/c1-4-28-15-20(18-12-22(32-2)23(33-3)13-19(18)25(28)30)26(31)29-9-7-27(8-10-29)14-17-5-6-21-24(11-17)35-16-34-21/h5-6,11-13,15H,4,7-10,14,16H2,1-3H3