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

Systemtic Name: [2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-pyrazol-4-yl]-2-oxidanyl-ethyl]phosphonic acid Openeye Name: [2-[5-(4-fluorophenyl)-3-isopropyl-1-phenyl-pyrazol-4-yl]-2-hydroxy-ethyl]phosphonic acid CAS Name: [2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-yl-4-pyrazolyl]-2-hydroxyethyl]phosphonic acid IUPAC Name: [2-[5-(4-fluorophenyl)-1-phenyl-3-propan-2-ylpyrazol-4-yl]-2-hydroxyethyl]phosphonic acid Traditional Name: [2-[5-(4-fluorophenyl)-3-isopropyl-1-phenyl-pyrazol-4-yl]-2-hydroxy-ethyl]phosphonic acid Formula: C20H22FN2O4P MolecularWeight: 404.371844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN2O4P/c1-13(2)19-18(17(24)12-28(25,26)27)20(14-8-10-15(21)11-9-14)23(22-19)16-6-4-3-5-7-16/h3-11,13,17,24H,12H2,1-2H3,(H2,25,26,27)