[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FN3O3/c1-14-19(13-24-25(14)18-6-4-3-5-7-18)21(27)28-15(2)20(26)23-12-16-8-10-17(22)11-9-16/h3-11,13,15H,12H2,1-2H3,(H,23,26)