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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyanilino)isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyanilino)-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyanilino)-3H-isoindol-1-one Traditional Name: 2-piperonyl-3-(3,4,5-trimethoxyanilino)isoindolin-1-one Formula: C25H24N2O6 MolecularWeight: 448.46786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N2O6/c1-29-21-11-16(12-22(30-2)23(21)31-3)26-24-17-6-4-5-7-18(17)25(28)27(24)13-15-8-9-19-20(10-15)33-14-32-19/h4-12,24,26H,13-14H2,1-3H3