[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 1-(2-pyridyl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(2-pyridinyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(2-pyridyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H18F3N5O4 MolecularWeight: 425.36183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(F)(F)F

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(F)(F)F

InChI

InChI=1S/C18H18F3N5O4/c19-18(20,21)15-12(9-23-26(15)13-7-3-4-8-22-13)16(28)30-10-14(27)25-17(29)24-11-5-1-2-6-11/h3-4,7-9,11H,1-2,5-6,10H2,(H2,24,25,27,29)