4-(5-cyanopyridin-2-yl)-N-[2-fluoranyl-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(5-cyanopyridin-2-yl)-N-[2-fluoranyl-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-(5-cyano-2-pyridyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-(5-cyano-2-pyridinyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-cyanopyridin-2-yl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(5-cyano-2-pyridyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C18H15F4N5O MolecularWeight: 393.338213

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=O)NC3=C(C=CC=C3F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=O)NC3=C(C=CC=C3F)C(F)(F)F

InChI

InChI=1S/C18H15F4N5O/c19-14-3-1-2-13(18(20,21)22)16(14)25-17(28)27-8-6-26(7-9-27)15-5-4-12(10-23)11-24-15/h1-5,11H,6-9H2,(H,25,28)