tert-butyl 4-(5-bromanylpyridin-3-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(5-bromanylpyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5-bromo-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-bromo-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-bromopyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-bromo-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C15H22BrN3O2 MolecularWeight: 356.25808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=CN=C2)Br

InChI

InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-6-4-5-18(7-8-19)13-9-12(16)10-17-11-13/h9-11H,4-8H2,1-3H3