tert-butyl 4-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(5-bromo-1,3-dioxo-isoindolin-2-yl)butanoyl]piperazine-1-carboxylate CAS Name: 4-[4-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxobutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(5-bromo-1,3-diketo-isoindolin-2-yl)butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26BrN3O5 MolecularWeight: 480.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H26BrN3O5/c1-21(2,3)30-20(29)24-11-9-23(10-12-24)17(26)5-4-8-25-18(27)15-7-6-14(22)13-16(15)19(25)28/h6-7,13H,4-5,8-12H2,1-3H3