2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)amino]-3H-isoindol-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyanilino)isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyanilino)-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyanilino)-3H-isoindol-1-one Traditional Name: 3-(3,4-dimethoxyanilino)-2-piperonyl-isoindolin-1-one Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C24H22N2O5/c1-28-19-10-8-16(12-21(19)29-2)25-23-17-5-3-4-6-18(17)24(27)26(23)13-15-7-9-20-22(11-15)31-14-30-20/h3-12,23,25H,13-14H2,1-2H3