4-[(3S)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(4-fluorophenyl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H16FN2O3- MolecularWeight: 339.340343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)CCC(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C19H17FN2O3/c20-15-8-6-14(7-9-15)17-12-16(13-4-2-1-3-5-13)21-22(17)18(23)10-11-19(24)25/h1-9,17H,10-12H2,(H,24,25)/p-1/t17-/m0/s1