ethyl 2-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylate CAS Name: 2-methyl-5-[oxo-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-3-carboxylate Traditional Name: 2-methyl-5-[4-[3-(trifluoromethyl)benzyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H23F3N4O3 MolecularWeight: 424.41683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N4O3/c1-3-30-19(29)17-12-16(24-25(17)2)18(28)27-9-7-26(8-10-27)13-14-5-4-6-15(11-14)20(21,22)23/h4-6,11-12H,3,7-10,13H2,1-2H3