[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H19ClFN3O3 MolecularWeight: 415.845263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)F

InChI

InChI=1S/C21H19ClFN3O3/c1-13-8-9-16(10-17(13)23)24-18(27)12-29-21(28)19-14(2)25-26(20(19)22)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,24,27)