4-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-3-(4-bromophenyl)-5-(4-fluorophenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H15BrFN2O3- MolecularWeight: 418.236403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrFN2O3/c20-14-5-1-12(2-6-14)16-11-17(13-3-7-15(21)8-4-13)23(22-16)18(24)9-10-19(25)26/h1-8,17H,9-11H2,(H,25,26)/p-1/t17-/m1/s1