tert-butyl 5-(6-bromanylpyridin-3-yl)-1,5-diazocane-1-carboxylate

Systemtic Name: tert-butyl 5-(6-bromanylpyridin-3-yl)-1,5-diazocane-1-carboxylate Openeye Name: tert-butyl 5-(6-bromo-3-pyridyl)-1,5-diazocane-1-carboxylate CAS Name: 5-(6-bromo-3-pyridinyl)-1,5-diazocane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(6-bromopyridin-3-yl)-1,5-diazocane-1-carboxylate Traditional Name: 5-(6-bromo-3-pyridyl)-1,5-diazocane-1-carboxylic acid tert-butyl ester Formula: C16H24BrN3O2 MolecularWeight: 370.28466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CCC1)C2=CN=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCC1)C2=CN=C(C=C2)Br

InChI

InChI=1S/C16H24BrN3O2/c1-16(2,3)22-15(21)20-10-4-8-19(9-5-11-20)13-6-7-14(17)18-12-13/h6-7,12H,4-5,8-11H2,1-3H3