[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(isobutylamino)-1-methyl-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 [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21ClFN3O3 MolecularWeight: 381.829043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NCC(C)C)Cl)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)NCC(C)C)Cl)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21ClFN3O3/c1-10(2)9-21-17(24)12(4)26-18(25)15-11(3)22-23(16(15)19)14-7-5-13(20)6-8-14/h5-8,10,12H,9H2,1-4H3,(H,21,24)