4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3-oxidanylidene-piperazine-1-carboxamide

Systemtic Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3-oxidanylidene-piperazine-1-carboxamide Openeye Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3-oxo-piperazine-1-carboxamide CAS Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3-oxo-1-piperazinecarboxamide IUPAC Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide Traditional Name: 4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-3-keto-piperazine-1-carboxamide Formula: C19H14F4N4O2 MolecularWeight: 406.333673

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)NC2=CC=C(C=C2)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

C1CN(C(=O)CN1C(=O)NC2=CC=C(C=C2)F)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C19H14F4N4O2/c20-13-2-4-14(5-3-13)25-18(29)26-7-8-27(17(28)11-26)15-6-1-12(10-24)16(9-15)19(21,22)23/h1-6,9H,7-8,11H2,(H,25,29)