2-[(3R)-2-ethanoyl-5-(2-fluoranyl-5-methyl-phenyl)-3-phenyl-4H-pyrazol-3-yl]butyl dihydrogen phosphate

Systemtic Name: 2-[(3R)-2-ethanoyl-5-(2-fluoranyl-5-methyl-phenyl)-3-phenyl-4H-pyrazol-3-yl]butyl dihydrogen phosphate Openeye Name: 2-[(3R)-2-acetyl-5-(2-fluoro-5-methyl-phenyl)-3-phenyl-4H-pyrazol-3-yl]butyl dihydrogen phosphate CAS Name: 2-[(3R)-2-acetyl-5-(2-fluoro-5-methylphenyl)-3-phenyl-4H-pyrazol-3-yl]butyl dihydrogen phosphate IUPAC Name: 2-[(3R)-2-acetyl-5-(2-fluoro-5-methylphenyl)-3-phenyl-4H-pyrazol-3-yl]butyl dihydrogen phosphate Traditional Name: 2-[(3R)-2-acetyl-5-(2-fluoro-5-methyl-phenyl)-3-phenyl-2-pyrazolin-3-yl]butyl dihydrogen phosphate Formula: C22H26FN2O5P MolecularWeight: 448.424404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COP(=O)(O)O)C1(CC(=NN1C(=O)C)C2=C(C=CC(=C2)C)F)C3=CC=CC=C3

Isomeric SMILES

CCC(COP(=O)(O)O)[C@]1(CC(=NN1C(=O)C)C2=C(C=CC(=C2)C)F)C3=CC=CC=C3

InChI

InChI=1S/C22H26FN2O5P/c1-4-17(14-30-31(27,28)29)22(18-8-6-5-7-9-18)13-21(24-25(22)16(3)26)19-12-15(2)10-11-20(19)23/h5-12,17H,4,13-14H2,1-3H3,(H2,27,28,29)/t17?,22-/m1/s1