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

Systemtic Name: tert-butyl 4-[[2-bromanyl-4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[2-bromo-4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-bromo-4-(trifluoromethyl)anilino]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-bromo-4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[2-bromo-4-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H21BrF3N3O3 MolecularWeight: 452.26615

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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)C(F)(F)F)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrF3N3O3/c1-16(2,3)27-15(26)24-8-6-23(7-9-24)14(25)22-13-5-4-11(10-12(13)18)17(19,20)21/h4-5,10H,6-9H2,1-3H3,(H,22,25)