ethyl 4-[[2-fluoranyl-6-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[2-fluoranyl-6-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2-fluoro-6-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[2-fluoro-6-(trifluoromethyl)anilino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-fluoro-6-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[[2-fluoro-6-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H17F4N3O3 MolecularWeight: 363.307393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C=CC=C2F)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C=CC=C2F)C(F)(F)F

InChI

InChI=1S/C15H17F4N3O3/c1-2-25-14(24)22-8-6-21(7-9-22)13(23)20-12-10(15(17,18)19)4-3-5-11(12)16/h3-5H,2,6-9H2,1H3,(H,20,23)