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

Systemtic Name: tert-butyl 4-[(2-bromanyl-4-fluoranyl-phenyl)carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2-bromo-4-fluoro-phenyl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[(2-bromo-4-fluoroanilino)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-bromo-4-fluorophenyl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(2-bromo-4-fluoro-phenyl)carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21BrFN3O3 MolecularWeight: 402.258643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C16H21BrFN3O3/c1-16(2,3)24-15(23)21-8-6-20(7-9-21)14(22)19-13-5-4-11(18)10-12(13)17/h4-5,10H,6-9H2,1-3H3,(H,19,22)