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

Systemtic Name: 2-[4-[[5-(bromomethyl)-3-propyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[5-(bromomethyl)-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[5-(bromomethyl)-3-propyl-1-(2,2,2-trifluoroethyl)-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[5-(bromomethyl)-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[5-(bromomethyl)-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]phenyl]benzonitrile Formula: C23H21BrF3N3 MolecularWeight: 476.33215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrF3N3/c1-2-5-21-20(22(13-24)30(29-21)15-23(25,26)27)12-16-8-10-17(11-9-16)19-7-4-3-6-18(19)14-28/h3-4,6-11H,2,5,12-13,15H2,1H3