tert-butyl 3-(6-azanyl-5-bromanyl-pyridin-3-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate

Systemtic Name: tert-butyl 3-(6-azanyl-5-bromanyl-pyridin-3-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate Openeye Name: tert-butyl 3-(6-amino-5-bromo-3-pyridyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate CAS Name: 3-(6-amino-5-bromo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(6-amino-5-bromopyridin-3-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate Traditional Name: 3-(6-amino-5-bromo-3-pyridyl)-7-azabicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester Formula: C16H22BrN3O2 MolecularWeight: 368.26878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC1C(C2)C3=CC(=C(N=C3)N)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CCC1C(C2)C3=CC(=C(N=C3)N)Br

InChI

InChI=1S/C16H22BrN3O2/c1-16(2,3)22-15(21)20-10-4-5-13(20)11(7-10)9-6-12(17)14(18)19-8-9/h6,8,10-11,13H,4-5,7H2,1-3H3,(H2,18,19)