ethyl 4-[2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-bromo-3-(trifluoromethyl)anilino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[4-bromo-3-(trifluoromethyl)anilino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-bromo-3-(trifluoromethyl)anilino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-bromo-3-(trifluoromethyl)anilino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H19BrF3N3O3 MolecularWeight: 438.23957

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CNC2=CC(=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CNC2=CC(=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C16H19BrF3N3O3/c1-2-26-15(25)23-7-5-22(6-8-23)14(24)10-21-11-3-4-13(17)12(9-11)16(18,19)20/h3-4,9,21H,2,5-8,10H2,1H3