4-(3-oxidanylidenepiperazin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-(3-oxidanylidenepiperazin-1-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-(3-oxopiperazin-1-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 4-(3-oxo-1-piperazinyl)-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-(3-oxopiperazin-1-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 4-(3-ketopiperazino)-2-(trifluoromethyl)benzonitrile Formula: C12H10F3N3O MolecularWeight: 269.22251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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