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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(2,4-dimethylphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylanilino)isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylanilino)-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(2,4-dimethylanilino)-3H-isoindol-1-one Traditional Name: 3-(2,4-dimethylanilino)-2-piperonyl-isoindolin-1-one Formula: C24H22N2O3 MolecularWeight: 386.44308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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