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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC(=CC=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

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