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

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(hexylamino)-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-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-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-(hexylamino)-2-keto-ethyl] ester Formula: C19H23ClFN3O3 MolecularWeight: 395.855623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)F)Cl

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)F)Cl

InChI

InChI=1S/C19H23ClFN3O3/c1-3-4-5-6-11-22-16(25)12-27-19(26)17-13(2)23-24(18(17)20)15-9-7-14(21)8-10-15/h7-10H,3-6,11-12H2,1-2H3,(H,22,25)