1-(3-azanylpyridin-4-yl)-6-(5-fluoranyl-2-methoxy-phenyl)-6-methyl-4-(trifluoromethyl)hept-1-yn-4-ol

Systemtic Name: 1-(3-azanylpyridin-4-yl)-6-(5-fluoranyl-2-methoxy-phenyl)-6-methyl-4-(trifluoromethyl)hept-1-yn-4-ol Openeye Name: 1-(3-amino-4-pyridyl)-6-(5-fluoro-2-methoxy-phenyl)-6-methyl-4-(trifluoromethyl)hept-1-yn-4-ol CAS Name: 1-(3-amino-4-pyridinyl)-6-(5-fluoro-2-methoxyphenyl)-6-methyl-4-(trifluoromethyl)-1-heptyn-4-ol IUPAC Name: 1-(3-aminopyridin-4-yl)-6-(5-fluoro-2-methoxyphenyl)-6-methyl-4-(trifluoromethyl)hept-1-yn-4-ol Traditional Name: 1-(3-amino-4-pyridyl)-6-(5-fluoro-2-methoxy-phenyl)-6-methyl-4-(trifluoromethyl)hept-1-yn-4-ol Formula: C21H22F4N2O2 MolecularWeight: 410.405193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC#CC1=C(C=NC=C1)N)(C(F)(F)F)O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CC(C)(CC(CC#CC1=C(C=NC=C1)N)(C(F)(F)F)O)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C21H22F4N2O2/c1-19(2,16-11-15(22)6-7-18(16)29-3)13-20(28,21(23,24)25)9-4-5-14-8-10-27-12-17(14)26/h6-8,10-12,28H,9,13,26H2,1-3H3