2-phenyl-2-(pyrimidin-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]butanenitrile

Systemtic Name: 2-phenyl-2-(pyrimidin-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]butanenitrile Openeye Name: 2-phenyl-2-(pyrimidin-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]butanenitrile CAS Name: 2-phenyl-2-(5-pyrimidinylmethyl)-4-[2-(trifluoromethyl)phenyl]butanenitrile IUPAC Name: 2-phenyl-2-(pyrimidin-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]butanenitrile Traditional Name: 2-phenyl-2-(5-pyrimidylmethyl)-4-[2-(trifluoromethyl)phenyl]butyronitrile Formula: C22H18F3N3 MolecularWeight: 381.39363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC2=CC=CC=C2C(F)(F)F)(CC3=CN=CN=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCC2=CC=CC=C2C(F)(F)F)(CC3=CN=CN=C3)C#N

InChI

InChI=1S/C22H18F3N3/c23-22(24,25)20-9-5-4-6-18(20)10-11-21(15-26,19-7-2-1-3-8-19)12-17-13-27-16-28-14-17/h1-9,13-14,16H,10-12H2