N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-cyano-2-pyridyl)piperazine-1-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-cyano-2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-cyanopyridin-2-yl)piperazine-1-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(5-cyano-2-pyridyl)piperazine-1-carboxamide Formula: C19H15F6N5O MolecularWeight: 443.345719

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C19H15F6N5O/c20-18(21,22)13-7-14(19(23,24)25)9-15(8-13)28-17(31)30-5-3-29(4-6-30)16-2-1-12(10-26)11-27-16/h1-2,7-9,11H,3-6H2,(H,28,31)