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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-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-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H21ClFN3O3 MolecularWeight: 381.829043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClFN3O3/c1-4-13(5-2)21-15(24)10-26-18(25)16-11(3)22-23(17(16)19)14-8-6-12(20)7-9-14/h6-9,13H,4-5,10H2,1-3H3,(H,21,24)