1-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]carbonyl-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-[oxo-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-[4-[3-(trifluoromethyl)benzyl]piperazine-1-carbonyl]pyrazole-4-carboxylic acid Formula: C18H19F3N4O3 MolecularWeight: 396.36367

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O3/c1-23-15(14(10-22-23)17(27)28)16(26)25-7-5-24(6-8-25)11-12-3-2-4-13(9-12)18(19,20)21/h2-4,9-10H,5-8,11H2,1H3,(H,27,28)