2-(3-oxidanylidenepiperazin-1-yl)-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-yl)-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzonitrile CAS Name: 2-(3-oxo-1-piperazinyl)-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-(3-oxopiperazin-1-yl)-5-(trifluoromethyl)benzonitrile Traditional Name: 2-(3-ketopiperazino)-5-(trifluoromethyl)benzonitrile Formula: C12H10F3N3O MolecularWeight: 269.22251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)C(F)(F)F)C#N

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)C(F)(F)F)C#N

InChI

InChI=1S/C12H10F3N3O/c13-12(14,15)9-1-2-10(8(5-9)6-16)18-4-3-17-11(19)7-18/h1-2,5H,3-4,7H2,(H,17,19)