1-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]cinnolin-4-one

Systemtic Name: 1-[4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]cinnolin-4-one Openeye Name: 1-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]cinnolin-4-one CAS Name: 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-4-cinnolinone IUPAC Name: 1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]cinnolin-4-one Traditional Name: 1-[4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]cinnolin-4-one Formula: C22H22F4N2O3 MolecularWeight: 438.415293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CN1C2=CC=CC=C2C(=O)C=N1)(C(F)(F)F)O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC(C)(CC(CN1C2=CC=CC=C2C(=O)C=N1)(C(F)(F)F)O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H22F4N2O3/c1-20(2,16-10-14(23)8-9-19(16)31-3)12-21(30,22(24,25)26)13-28-17-7-5-4-6-15(17)18(29)11-27-28/h4-11,30H,12-13H2,1-3H3