tert-butyl 4-(2-bromanylethanoyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(2-bromanylethanoyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2-bromoacetyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-bromo-1-oxoethyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-bromoacetyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-bromoacetyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C12H21BrN2O3 MolecularWeight: 321.21074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)CBr

InChI

InChI=1S/C12H21BrN2O3/c1-12(2,3)18-11(17)15-6-4-5-14(7-8-15)10(16)9-13/h4-9H2,1-3H3