[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H18FN3O3/c1-14(19(25)23-18-10-6-5-9-17(18)21)27-20(26)16-11-22-24(13-16)12-15-7-3-2-4-8-15/h2-11,13-14H,12H2,1H3,(H,23,25)