tert-butyl 4-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-oxidanylidene-2-phenyl-1H-isoindol-4-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-oxo-2-phenyl-isoindoline-4-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(3-oxo-2-phenyl-1H-isoindol-4-yl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-keto-2-phenyl-isoindoline-4-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C3C(=CC=C2)CN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C3C(=CC=C2)CN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4/c1-24(2,3)31-23(30)26-14-12-25(13-15-26)21(28)19-11-7-8-17-16-27(22(29)20(17)19)18-9-5-4-6-10-18/h4-11H,12-16H2,1-3H3