tert-butyl 4-[(2-bromanyl-4-methyl-phenyl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-bromanyl-4-methyl-phenyl)carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-bromo-4-methyl-phenyl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4-methylanilino)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-bromo-4-methylphenyl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(2-bromo-4-methyl-phenyl)carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H24BrN3O3 MolecularWeight: 398.29476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C17H24BrN3O3/c1-12-5-6-14(13(18)11-12)19-15(22)20-7-9-21(10-8-20)16(23)24-17(2,3)4/h5-6,11H,7-10H2,1-4H3,(H,19,22)