tert-butyl 4-[3-[(E)-2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)ethenyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(E)-2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)ethenyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(E)-2-(3-oxoisoindolin-4-yl)vinyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[3-[(E)-2-(3-oxo-1,2-dihydroisoindol-4-yl)ethenyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(E)-2-(3-oxo-1,2-dihydroisoindol-4-yl)ethenyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(E)-2-(3-ketoisoindolin-4-yl)vinyl]benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC(=C2)C=CC3=C4C(=CC=C3)CNC4=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=CC(=C2)/C=C/C3=C4C(=CC=C3)CNC4=O

InChI

InChI=1S/C26H29N3O4/c1-26(2,3)33-25(32)29-14-12-28(13-15-29)24(31)20-8-4-6-18(16-20)10-11-19-7-5-9-21-17-27-23(30)22(19)21/h4-11,16H,12-15,17H2,1-3H3,(H,27,30)/b11-10+