ethyl 4-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-chlorophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H18ClF3N4O3 MolecularWeight: 430.80873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)C(F)(F)F

InChI

InChI=1S/C18H18ClF3N4O3/c1-2-29-17(28)25-8-6-24(7-9-25)16(27)14-11-23-26(15(14)18(20,21)22)13-5-3-4-12(19)10-13/h3-5,10-11H,2,6-9H2,1H3