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

Systemtic Name: 3-[(3S)-5-(5-bromanyl-2-fluoranyl-phenyl)-2-ethanoyl-3-phenyl-4H-pyrazol-3-yl]propyl dihydrogen phosphate Openeye Name: 3-[(3S)-2-acetyl-5-(5-bromo-2-fluoro-phenyl)-3-phenyl-4H-pyrazol-3-yl]propyl dihydrogen phosphate CAS Name: 3-[(3S)-2-acetyl-5-(5-bromo-2-fluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl dihydrogen phosphate IUPAC Name: 3-[(3S)-2-acetyl-5-(5-bromo-2-fluorophenyl)-3-phenyl-4H-pyrazol-3-yl]propyl dihydrogen phosphate Traditional Name: 3-[(3S)-2-acetyl-5-(5-bromo-2-fluoro-phenyl)-3-phenyl-2-pyrazolin-3-yl]propyl dihydrogen phosphate Formula: C20H21BrFN2O5P MolecularWeight: 499.267304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=C(C=CC(=C2)Br)F)(CCCOP(=O)(O)O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N1[C@](CC(=N1)C2=C(C=CC(=C2)Br)F)(CCCOP(=O)(O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrFN2O5P/c1-14(25)24-20(15-6-3-2-4-7-15,10-5-11-29-30(26,27)28)13-19(23-24)17-12-16(21)8-9-18(17)22/h2-4,6-9,12H,5,10-11,13H2,1H3,(H2,26,27,28)/t20-/m0/s1