tert-butyl (1R,5S)-6-(5-bromanylpyridin-2-yl)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate

Systemtic Name: tert-butyl (1R,5S)-6-(5-bromanylpyridin-2-yl)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate Openeye Name: tert-butyl (1R,5S)-6-(5-bromo-2-pyridyl)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate CAS Name: (1R,5S)-6-(5-bromo-2-pyridinyl)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,5S)-6-(5-bromopyridin-2-yl)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate Traditional Name: (1R,5S)-6-(5-bromo-2-pyridyl)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester Formula: C16H18BrN3O2 MolecularWeight: 364.23702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2C(C1)C2(C#N)C3=NC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2(C#N)C3=NC=C(C=C3)Br

InChI

InChI=1S/C16H18BrN3O2/c1-15(2,3)22-14(21)20-7-11-12(8-20)16(11,9-18)13-5-4-10(17)6-19-13/h4-6,11-12H,7-8H2,1-3H3/t11-,12+,16?