3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]prop-2-enoic acid

Systemtic Name: 3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Openeye Name: 3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]prop-2-enoic acid CAS Name: 3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-2-propenoic acid IUPAC Name: 3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]prop-2-enoic acid Traditional Name: 3-(4-bromophenyl)-2-[[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-yl]methyl]acrylic acid Formula: C22H20BrFN2O3 MolecularWeight: 459.308203

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)Br)C(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)Br)C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20BrFN2O3/c1-2-3-20-19(21(27)26(25-20)18-10-8-17(24)9-11-18)13-15(22(28)29)12-14-4-6-16(23)7-5-14/h4-12,19H,2-3,13H2,1H3,(H,28,29)