[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H18ClFN4O3 MolecularWeight: 404.822623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2(CCCC2)C#N)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2(CCCC2)C#N)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18ClFN4O3/c1-12-16(17(20)25(24-12)14-6-4-13(21)5-7-14)18(27)28-10-15(26)23-19(11-22)8-2-3-9-19/h4-7H,2-3,8-10H2,1H3,(H,23,26)