[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-4-pyrazolecarboxylic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 5-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[5-(trifluoromethyl)-2-pyridyl]pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C24H24F3N5O3 MolecularWeight: 487.47427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=NC=C(C=C2)C(F)(F)F)C(=O)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H24F3N5O3/c1-16-20(15-29-32(16)21-9-8-18(14-28-21)24(25,26)27)23(34)35-17(2)22(33)31-12-10-30(11-13-31)19-6-4-3-5-7-19/h3-9,14-15,17H,10-13H2,1-2H3