1-(6-chloranylpyridazin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(6-chloranylpyridazin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(6-chloropyridazin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(6-chloro-3-pyridazinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-chloropyridazin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(6-chloropyridazin-3-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H22ClF3N4O2 MolecularWeight: 442.86249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C20H22ClF3N4O2/c1-2-11-30-16-4-3-14(20(22,23)24)12-15(16)25-19(29)13-7-9-28(10-8-13)18-6-5-17(21)26-27-18/h3-6,12-13H,2,7-11H2,1H3,(H,25,29)