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

Systemtic Name: 2-[(3R)-2-ethanoyl-5-(2-fluoranyl-5-methyl-phenyl)-3-phenyl-4H-pyrazol-3-yl]propyl dihydrogen phosphate Openeye Name: 2-[(3R)-2-acetyl-5-(2-fluoro-5-methyl-phenyl)-3-phenyl-4H-pyrazol-3-yl]propyl dihydrogen phosphate CAS Name: 2-[(3R)-2-acetyl-5-(2-fluoro-5-methylphenyl)-3-phenyl-4H-pyrazol-3-yl]propyl dihydrogen phosphate IUPAC Name: 2-[(3R)-2-acetyl-5-(2-fluoro-5-methylphenyl)-3-phenyl-4H-pyrazol-3-yl]propyl dihydrogen phosphate Traditional Name: 2-[(3R)-2-acetyl-5-(2-fluoro-5-methyl-phenyl)-3-phenyl-2-pyrazolin-3-yl]propyl dihydrogen phosphate Formula: C21H24FN2O5P MolecularWeight: 434.397824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)C2=NN(C(C2)(C3=CC=CC=C3)C(C)COP(=O)(O)O)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)F)C2=NN([C@@](C2)(C3=CC=CC=C3)C(C)COP(=O)(O)O)C(=O)C

InChI

InChI=1S/C21H24FN2O5P/c1-14-9-10-19(22)18(11-14)20-12-21(24(23-20)16(3)25,17-7-5-4-6-8-17)15(2)13-29-30(26,27)28/h4-11,15H,12-13H2,1-3H3,(H2,26,27,28)/t15?,21-/m1/s1