2-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethyl-6-methyl-phenyl)amino]-3H-isoindol-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethyl-6-methyl-phenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethyl-6-methyl-anilino)isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethyl-6-methylanilino)-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethyl-6-methylanilino)-3H-isoindol-1-one Traditional Name: 3-(2-ethyl-6-methyl-anilino)-2-piperonyl-isoindolin-1-one Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCC1=CC=CC(=C1NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H24N2O3/c1-3-18-8-6-7-16(2)23(18)26-24-19-9-4-5-10-20(19)25(28)27(24)14-17-11-12-21-22(13-17)30-15-29-21/h4-13,24,26H,3,14-15H2,1-2H3