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

Systemtic Name: tert-butyl 4-[5,6-bis(bromanyl)pyridin-3-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(5,6-dibromo-3-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5,6-dibromo-3-pyridinyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5,6-dibromopyridin-3-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5,6-dibromo-3-pyridyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C15H21Br2N3O2 MolecularWeight: 435.15414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21Br2N3O2/c1-15(2,3)22-14(21)20-6-4-5-19(7-8-20)11-9-12(16)13(17)18-10-11/h9-10H,4-8H2,1-3H3