tert-butyl 4-(6-bromanyl-5-chloranyl-pyridin-3-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(6-bromanyl-5-chloranyl-pyridin-3-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(6-bromo-5-chloro-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-bromo-5-chloro-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-bromo-5-chloropyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-bromo-5-chloro-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C15H21BrClN3O2 MolecularWeight: 390.70314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(N=C2)Br)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC(=C(N=C2)Br)Cl

InChI

InChI=1S/C15H21BrClN3O2/c1-15(2,3)22-14(21)20-6-4-5-19(7-8-20)11-9-12(17)13(16)18-10-11/h9-10H,4-8H2,1-3H3