4-(3-methylphenyl)-7-[[4-[1,1,1-tris(fluoranyl)-2-oxidanyl-butan-2-yl]-1,2,3-triazol-1-yl]methyl]quinoline-2-carbonitrile

Systemtic Name: 4-(3-methylphenyl)-7-[[4-[1,1,1-tris(fluoranyl)-2-oxidanyl-butan-2-yl]-1,2,3-triazol-1-yl]methyl]quinoline-2-carbonitrile Openeye Name: 7-[[4-[1-hydroxy-1-(trifluoromethyl)propyl]triazol-1-yl]methyl]-4-(m-tolyl)quinoline-2-carbonitrile CAS Name: 4-(3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)-1-triazolyl]methyl]-2-quinolinecarbonitrile IUPAC Name: 4-(3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]quinoline-2-carbonitrile Traditional Name: 7-[[4-[1-hydroxy-1-(trifluoromethyl)propyl]triazol-1-yl]methyl]-4-(m-tolyl)quinaldonitrile Formula: C24H20F3N5O MolecularWeight: 451.44371

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CN(N=N1)CC2=CC3=NC(=CC(=C3C=C2)C4=CC(=CC=C4)C)C#N)(C(F)(F)F)O

Isomeric SMILES

CCC(C1=CN(N=N1)CC2=CC3=NC(=CC(=C3C=C2)C4=CC(=CC=C4)C)C#N)(C(F)(F)F)O

InChI

InChI=1S/C24H20F3N5O/c1-3-23(33,24(25,26)27)22-14-32(31-30-22)13-16-7-8-19-20(17-6-4-5-15(2)9-17)11-18(12-28)29-21(19)10-16/h4-11,14,33H,3,13H2,1-2H3