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

Systemtic Name: 1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-(2-pyridylmethyl)isonipecotamide Formula: C20H20BrN5OS MolecularWeight: 458.3747

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=N2)C3=NN=C(C=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=N2)C3=NN=C(C=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C20H20BrN5OS/c21-18-6-5-17(28-18)16-4-7-19(25-24-16)26-11-8-14(9-12-26)20(27)23-13-15-3-1-2-10-22-15/h1-7,10,14H,8-9,11-13H2,(H,23,27)