4-[2-azanyl-4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-(trifluoromethyl)pentyl]-2,6-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[2-azanyl-4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-(trifluoromethyl)pentyl]-2,6-dimethyl-benzenecarbonitrile Openeye Name: 4-[2-amino-4-(5-fluoro-2-hydroxy-phenyl)-4-methyl-2-(trifluoromethyl)pentyl]-2,6-dimethyl-benzonitrile CAS Name: 4-[2-amino-4-(5-fluoro-2-hydroxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-2,6-dimethylbenzonitrile IUPAC Name: 4-[2-amino-4-(5-fluoro-2-hydroxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-2,6-dimethylbenzonitrile Traditional Name: 4-[2-amino-4-(5-fluoro-2-hydroxy-phenyl)-4-methyl-2-(trifluoromethyl)pentyl]-2,6-dimethyl-benzonitrile Formula: C22H24F4N2O MolecularWeight: 408.432373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C#N)C)CC(CC(C)(C)C2=C(C=CC(=C2)F)O)(C(F)(F)F)N

Isomeric SMILES

CC1=CC(=CC(=C1C#N)C)CC(CC(C)(C)C2=C(C=CC(=C2)F)O)(C(F)(F)F)N

InChI

InChI=1S/C22H24F4N2O/c1-13-7-15(8-14(2)17(13)11-27)10-21(28,22(24,25)26)12-20(3,4)18-9-16(23)5-6-19(18)29/h5-9,29H,10,12,28H2,1-4H3