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

Systemtic Name: 2-[4-[[5-(hydroxymethyl)-3-propyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-(hydroxymethyl)-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[5-(hydroxymethyl)-3-propyl-1-(2,2,2-trifluoroethyl)-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[5-(hydroxymethyl)-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[5-methylol-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]phenyl]benzonitrile Formula: C23H22F3N3O MolecularWeight: 413.43549

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CO)CC(F)(F)F

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CO)CC(F)(F)F

InChI

InChI=1S/C23H22F3N3O/c1-2-5-21-20(22(14-30)29(28-21)15-23(24,25)26)12-16-8-10-17(11-9-16)19-7-4-3-6-18(19)13-27/h3-4,6-11,30H,2,5,12,14-15H2,1H3