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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(isopentylamino)-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-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-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-(isoamylamino)-2-keto-ethyl] ester Formula: C18H21ClFN3O3 MolecularWeight: 381.829043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NCCC(C)C)Cl)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NCCC(C)C)Cl)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21ClFN3O3/c1-11(2)8-9-21-15(24)10-26-18(25)16-12(3)22-23(17(16)19)14-6-4-13(20)5-7-14/h4-7,11H,8-10H2,1-3H3,(H,21,24)