[(E)-2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-pyrazol-4-yl]ethenyl]phosphonic acid

Systemtic Name: [(E)-2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-pyrazol-4-yl]ethenyl]phosphonic acid Openeye Name: [(E)-2-[5-(4-fluorophenyl)-3-isopropyl-1-phenyl-pyrazol-4-yl]vinyl]phosphonic acid CAS Name: [(E)-2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-4-pyrazolyl]ethenyl]phosphonic acid IUPAC Name: [(E)-2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]ethenyl]phosphonic acid Traditional Name: [(E)-2-[5-(4-fluorophenyl)-3-isopropyl-1-phenyl-pyrazol-4-yl]vinyl]phosphonic acid Formula: C20H20FN2O3P MolecularWeight: 386.356564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1C=CP(=O)(O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NN(C(=C1/C=C/P(=O)(O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C20H20FN2O3P/c1-14(2)19-18(12-13-27(24,25)26)20(15-8-10-16(21)11-9-15)23(22-19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H2,24,25,26)/b13-12+