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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)amino]-3H-isoindol-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyanilino)isoindolin-1-one CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyanilino)-3H-isoindol-1-one IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyanilino)-3H-isoindol-1-one Traditional Name: 3-(p-anisidino)-2-piperonyl-isoindolin-1-one Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)NC2C3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20N2O4/c1-27-17-9-7-16(8-10-17)24-22-18-4-2-3-5-19(18)23(26)25(22)13-15-6-11-20-21(12-15)29-14-28-20/h2-12,22,24H,13-14H2,1H3