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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(2,3-dimethylphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dimethylanilino)isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dimethylanilino)-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dimethylanilino)-3H-isoindol-1-one Traditional Name: 3-(2,3-dimethylanilino)-2-piperonyl-isoindolin-1-one Formula: C24H22N2O3 MolecularWeight: 386.44308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H22N2O3/c1-15-6-5-9-20(16(15)2)25-23-18-7-3-4-8-19(18)24(27)26(23)13-17-10-11-21-22(12-17)29-14-28-21/h3-12,23,25H,13-14H2,1-2H3