2-[2,4-bis(fluoranyl)phenyl]-3-(6-fluoranylquinolin-2-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol dihydrochloride

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-3-(6-fluoranylquinolin-2-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol dihydrochloride Openeye Name: 2-(2,4-difluorophenyl)-3-(6-fluoro-2-quinolyl)-1-(1,2,4-triazol-1-yl)butan-2-ol dihydrochloride CAS Name: 2-(2,4-difluorophenyl)-3-(6-fluoro-2-quinolinyl)-1-(1,2,4-triazol-1-yl)-2-butanol dihydrochloride IUPAC Name: 2-(2,4-difluorophenyl)-3-(6-fluoroquinolin-2-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol dihydrochloride Traditional Name: 2-(2,4-difluorophenyl)-3-(6-fluoro-2-quinolyl)-1-(1,2,4-triazol-1-yl)butan-2-ol dihydrochloride Formula: C21H19Cl2F3N4O MolecularWeight: 471.30297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C=C1)C=C(C=C2)F)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O.Cl.Cl

Isomeric SMILES

CC(C1=NC2=C(C=C1)C=C(C=C2)F)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O.Cl.Cl

InChI

InChI=1S/C21H17F3N4O.2ClH/c1-13(19-6-2-14-8-15(22)4-7-20(14)27-19)21(29,10-28-12-25-11-26-28)17-5-3-16(23)9-18(17)24;;/h2-9,11-13,29H,10H2,1H3;2*1H