N-(4-bromanyl-2-fluoranyl-phenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C20H18BrFN4OS MolecularWeight: 461.350523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)Br)F)C3=NN=C(C=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)Br)F)C3=NN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C20H18BrFN4OS/c21-14-3-4-16(15(22)12-14)23-20(27)13-7-9-26(10-8-13)19-6-5-17(24-25-19)18-2-1-11-28-18/h1-6,11-13H,7-10H2,(H,23,27)