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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(4-ethanoylphenyl)amino]-3H-isoindol-1-one Openeye Name: 3-(4-acetylanilino)-2-(1,3-benzodioxol-5-ylmethyl)isoindolin-1-one CAS Name: 3-(4-acetylanilino)-2-(1,3-benzodioxol-5-ylmethyl)-3H-isoindol-1-one IUPAC Name: 3-(4-acetylanilino)-2-(1,3-benzodioxol-5-ylmethyl)-3H-isoindol-1-one Traditional Name: 3-(4-acetylanilino)-2-piperonyl-isoindolin-1-one Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O4/c1-15(27)17-7-9-18(10-8-17)25-23-19-4-2-3-5-20(19)24(28)26(23)13-16-6-11-21-22(12-16)30-14-29-21/h2-12,23,25H,13-14H2,1H3