tert-butyl 4-(3-oxidanylidene-1,2-dihydroisoindol-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-oxidanylidene-1,2-dihydroisoindol-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-oxoisoindolin-5-yl)piperazine-1-carboxylate CAS Name: 4-(3-oxo-1,2-dihydroisoindol-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-oxo-1,2-dihydroisoindol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(3-ketoisoindolin-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CNC3=O)C=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(CNC3=O)C=C2

InChI

InChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)20-8-6-19(7-9-20)13-5-4-12-11-18-15(21)14(12)10-13/h4-5,10H,6-9,11H2,1-3H3,(H,18,21)