2-[4-[[3-oxidanylidene-5-propyl-2-[2,2,2-tris(fluoranyl)ethyl]-1H-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[3-oxidanylidene-5-propyl-2-[2,2,2-tris(fluoranyl)ethyl]-1H-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[3-oxo-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[3-oxo-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[3-oxo-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[5-keto-3-propyl-1-(2,2,2-trifluoroethyl)-3-pyrazolin-4-yl]methyl]phenyl]benzonitrile Formula: C22H20F3N3O MolecularWeight: 399.40891

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)CC(F)(F)F)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=C(C(=O)N(N1)CC(F)(F)F)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H20F3N3O/c1-2-5-20-19(21(29)28(27-20)14-22(23,24)25)12-15-8-10-16(11-9-15)18-7-4-3-6-17(18)13-26/h3-4,6-11,27H,2,5,12,14H2,1H3