[(3S,5S)-5-(4-fluorophenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl] 1,5-dimethylpyrazole-4-carboxylate

Systemtic Name: [(3S,5S)-5-(4-fluorophenyl)-1-methyl-2-oxidanylidene-pyrrolidin-3-yl] 1,5-dimethylpyrazole-4-carboxylate Openeye Name: [(3S,5S)-5-(4-fluorophenyl)-1-methyl-2-oxo-pyrrolidin-3-yl] 1,5-dimethylpyrazole-4-carboxylate CAS Name: 1,5-dimethyl-4-pyrazolecarboxylic acid [(3S,5S)-5-(4-fluorophenyl)-1-methyl-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [(3S,5S)-5-(4-fluorophenyl)-1-methyl-2-oxopyrrolidin-3-yl] 1,5-dimethylpyrazole-4-carboxylate Traditional Name: 1,5-dimethylpyrazole-4-carboxylic acid [(3S,5S)-5-(4-fluorophenyl)-2-keto-1-methyl-pyrrolidin-3-yl] ester Formula: C17H18FN3O3 MolecularWeight: 331.341523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)OC2CC(N(C2=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=NN1C)C(=O)O[C@H]2C[C@H](N(C2=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H18FN3O3/c1-10-13(9-19-21(10)3)17(23)24-15-8-14(20(2)16(15)22)11-4-6-12(18)7-5-11/h4-7,9,14-15H,8H2,1-3H3/t14-,15-/m0/s1