1-[(5R)-3-(2-fluoranyl-5-methyl-phenyl)-5-(1-oxidanylbutan-2-yl)-5-phenyl-4H-pyrazol-1-yl]ethanone

Systemtic Name: 1-[(5R)-3-(2-fluoranyl-5-methyl-phenyl)-5-(1-oxidanylbutan-2-yl)-5-phenyl-4H-pyrazol-1-yl]ethanone Openeye Name: 1-[(5R)-3-(2-fluoro-5-methyl-phenyl)-5-[1-(hydroxymethyl)propyl]-5-phenyl-4H-pyrazol-1-yl]ethanone CAS Name: 1-[(5R)-3-(2-fluoro-5-methylphenyl)-5-(1-hydroxybutan-2-yl)-5-phenyl-4H-pyrazol-1-yl]ethanone IUPAC Name: 1-[(5R)-3-(2-fluoro-5-methylphenyl)-5-(1-hydroxybutan-2-yl)-5-phenyl-4H-pyrazol-1-yl]ethanone Traditional Name: 1-[(5R)-3-(2-fluoro-5-methyl-phenyl)-5-(1-methylolpropyl)-5-phenyl-2-pyrazolin-1-yl]ethanone Formula: C22H25FN2O2 MolecularWeight: 368.444503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O2/c1-4-17(14-26)22(18-8-6-5-7-9-18)13-21(24-25(22)16(3)27)19-12-15(2)10-11-20(19)23/h5-12,17,26H,4,13-14H2,1-3H3/t17?,22-/m1/s1