1-[(5S)-3-(5-bromanyl-2-fluoranyl-phenyl)-5-(3-oxidanylpropyl)-5-phenyl-4H-pyrazol-1-yl]ethanone

Systemtic Name: 1-[(5S)-3-(5-bromanyl-2-fluoranyl-phenyl)-5-(3-oxidanylpropyl)-5-phenyl-4H-pyrazol-1-yl]ethanone Openeye Name: 1-[(5S)-3-(5-bromo-2-fluoro-phenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]ethanone CAS Name: 1-[(5S)-3-(5-bromo-2-fluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]ethanone IUPAC Name: 1-[(5S)-3-(5-bromo-2-fluorophenyl)-5-(3-hydroxypropyl)-5-phenyl-4H-pyrazol-1-yl]ethanone Traditional Name: 1-[(5S)-3-(5-bromo-2-fluoro-phenyl)-5-(3-hydroxypropyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C20H20BrFN2O2 MolecularWeight: 419.287403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrFN2O2/c1-14(26)24-20(10-5-11-25,15-6-3-2-4-7-15)13-19(23-24)17-12-16(21)8-9-18(17)22/h2-4,6-9,12,25H,5,10-11,13H2,1H3/t20-/m0/s1