4-fluoranyl-3-[[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-fluoro-3-[[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-fluoro-3-[[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-fluoro-3-[[4-[2-(trifluoromethyl)benzoyl]piperazino]methyl]benzonitrile Formula: C20H17F4N3O MolecularWeight: 391.362093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)C#N)F)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)C#N)F)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H17F4N3O/c21-18-6-5-14(12-25)11-15(18)13-26-7-9-27(10-8-26)19(28)16-3-1-2-4-17(16)20(22,23)24/h1-6,11H,7-10,13H2