tert-butyl N-[1-[(5-bromanylpyridin-3-yl)methyl]-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(5-bromanylpyridin-3-yl)methyl]-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[1-[(5-bromo-3-pyridyl)methyl]-2-oxo-azepan-3-yl]carbamate CAS Name: N-[1-[(5-bromo-3-pyridinyl)methyl]-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(5-bromopyridin-3-yl)methyl]-2-oxoazepan-3-yl]carbamate Traditional Name: N-[1-[(5-bromo-3-pyridyl)methyl]-2-keto-azepan-3-yl]carbamic acid tert-butyl ester Formula: C17H24BrN3O3 MolecularWeight: 398.29476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCCCN(C1=O)CC2=CC(=CN=C2)Br

InChI

InChI=1S/C17H24BrN3O3/c1-17(2,3)24-16(23)20-14-6-4-5-7-21(15(14)22)11-12-8-13(18)10-19-9-12/h8-10,14H,4-7,11H2,1-3H3,(H,20,23)