tert-butyl 4-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H23BrN4O3 MolecularWeight: 399.28282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NC2=NC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN4O3/c1-16(2,3)24-15(23)21-8-6-20(7-9-21)11-14(22)19-13-5-4-12(17)10-18-13/h4-5,10H,6-9,11H2,1-3H3,(H,18,19,22)