4-[(E)-2-[2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]ethenyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-[2-oxidanylidene-6-(trifluoromethyl)-1,3-diazinan-4-yl]ethenyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-[2-oxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl]vinyl]benzonitrile CAS Name: 4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]ethenyl]benzonitrile IUPAC Name: 4-[(E)-2-[2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]ethenyl]benzonitrile Traditional Name: 4-[(E)-2-[2-keto-6-(trifluoromethyl)hexahydropyrimidin-4-yl]vinyl]benzonitrile Formula: C14H12F3N3O MolecularWeight: 295.25979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)NC1C(F)(F)F)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1C(NC(=O)NC1C(F)(F)F)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H12F3N3O/c15-14(16,17)12-7-11(19-13(21)20-12)6-5-9-1-3-10(8-18)4-2-9/h1-6,11-12H,7H2,(H2,19,20,21)/b6-5+