[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [(1S)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O[C@@H](C)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O3/c1-14-20(15(2)26(25-14)19-7-5-4-6-8-19)22(28)29-16(3)21(27)24-13-17-9-11-18(23)12-10-17/h4-12,16H,13H2,1-3H3,(H,24,27)/t16-/m0/s1