tert-butyl 4-[(5-bromanylpyridin-2-yl)carbamoyl-methyl-amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-bromanylpyridin-2-yl)carbamoyl-methyl-amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-bromo-2-pyridyl)carbamoyl-methyl-amino]piperidine-1-carboxylate CAS Name: 4-[[[(5-bromo-2-pyridinyl)amino]-oxomethyl]-methylamino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-bromopyridin-2-yl)carbamoyl-methylamino]piperidine-1-carboxylate Traditional Name: 4-[(5-bromo-2-pyridyl)carbamoyl-methyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C17H25BrN4O3 MolecularWeight: 413.3094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C(=O)NC2=NC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N(C)C(=O)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C17H25BrN4O3/c1-17(2,3)25-16(24)22-9-7-13(8-10-22)21(4)15(23)20-14-6-5-12(18)11-19-14/h5-6,11,13H,7-10H2,1-4H3,(H,19,20,23)