1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide Openeye Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide CAS Name: 1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-N-(3,4,5-trimethoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-(3,4,5-trimethoxyphenyl)isonipecotamide Formula: C23H25BrN4O4S MolecularWeight: 533.438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C23H25BrN4O4S/c1-30-17-12-15(13-18(31-2)22(17)32-3)25-23(29)14-8-10-28(11-9-14)21-7-4-16(26-27-21)19-5-6-20(24)33-19/h4-7,12-14H,8-11H2,1-3H3,(H,25,29)