tert-butyl 3-[(2-bromanyl-4-fluoranyl-phenyl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-[(2-bromanyl-4-fluoranyl-phenyl)carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 3-[(2-bromo-4-fluoro-phenyl)carbamoyl]piperazine-1-carboxylate CAS Name: 3-[(2-bromo-4-fluoroanilino)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-bromo-4-fluorophenyl)carbamoyl]piperazine-1-carboxylate Traditional Name: 3-[(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)N1CCNC(C1)C(=O)NC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)NC2=C(C=C(C=C2)F)Br

InChI

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