ethyl 4-[4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxidanylidene-1H-isoindol-1-yl]amino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-isoindolin-1-yl]amino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1H-isoindol-1-yl]amino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(3-keto-2-piperonyl-isoindolin-1-yl)amino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C30H30N4O6 MolecularWeight: 542.5824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3C4=CC=CC=C4C(=O)N3CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H30N4O6/c1-2-38-30(37)33-15-13-32(14-16-33)28(35)21-8-10-22(11-9-21)31-27-23-5-3-4-6-24(23)29(36)34(27)18-20-7-12-25-26(17-20)40-19-39-25/h3-12,17,27,31H,2,13-16,18-19H2,1H3