tert-butyl 4-[[4-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-bromanyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-bromo-2,3-dioxo-indolin-1-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-bromo-2,3-dioxo-1-indolyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-bromo-2,3-dioxoindol-1-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(4-bromo-2,3-diketo-indolin-1-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H22BrN3O4 MolecularWeight: 424.28898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CN2C3=C(C(=CC=C3)Br)C(=O)C2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CN2C3=C(C(=CC=C3)Br)C(=O)C2=O

InChI

InChI=1S/C18H22BrN3O4/c1-18(2,3)26-17(25)21-9-7-20(8-10-21)11-22-13-6-4-5-12(19)14(13)15(23)16(22)24/h4-6H,7-11H2,1-3H3