tert-butyl 4-[3-bromanyl-5-(trifluoromethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-bromanyl-5-(trifluoromethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-bromo-5-(trifluoromethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[3-bromo-5-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-bromo-5-(trifluoromethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-bromo-5-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H20BrF3N2O2 MolecularWeight: 409.24141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrF3N2O2/c1-15(2,3)24-14(23)22-6-4-21(5-7-22)13-9-11(16(18,19)20)8-12(17)10-13/h8-10H,4-7H2,1-3H3