tert-butyl 4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-bromanyl-2-chloranyl-phenyl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-bromo-2-chloro-benzoyl)piperazine-1-carboxylate CAS Name: 4-[(5-bromo-2-chlorophenyl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-bromo-2-chlorobenzoyl)piperazine-1-carboxylate Traditional Name: 4-(5-bromo-2-chloro-benzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H20BrClN2O3 MolecularWeight: 403.6986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C16H20BrClN2O3/c1-16(2,3)23-15(22)20-8-6-19(7-9-20)14(21)12-10-11(17)4-5-13(12)18/h4-5,10H,6-9H2,1-3H3