N-(1,3-benzodioxol-5-ylmethyl)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-piperonyl-isonipecotamide Formula: C20H19ClF3N3O3 MolecularWeight: 441.83137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C20H19ClF3N3O3/c21-15-8-14(20(22,23)24)10-25-18(15)27-5-3-13(4-6-27)19(28)26-9-12-1-2-16-17(7-12)30-11-29-16/h1-2,7-8,10,13H,3-6,9,11H2,(H,26,28)