N-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-bis(oxidanyl)-2-piperidin-4-yl-pent-3-ynamide

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-bis(oxidanyl)-2-piperidin-4-yl-pent-3-ynamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dihydroxy-2-(4-piperidyl)pent-3-ynamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dihydroxy-2-(4-piperidinyl)-3-pentynamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dihydroxy-2-piperidin-4-ylpent-3-ynamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dihydroxy-2-(4-piperidyl)pent-3-ynamide Formula: C18H18F3N3O3 MolecularWeight: 381.34903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C#CCO)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

Isomeric SMILES

C1CNCCC1C(C#CCO)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O

InChI

InChI=1S/C18H18F3N3O3/c19-18(20,21)15-10-14(3-2-12(15)11-22)24-16(26)17(27,6-1-9-25)13-4-7-23-8-5-13/h2-3,10,13,23,25,27H,4-5,7-9H2,(H,24,26)