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

Systemtic Name: 1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]-N-pyridin-3-yl-piperidine-4-carboxamide Openeye Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-(3-pyridyl)piperidine-4-carboxamide CAS Name: 1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-N-(3-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide Traditional Name: 1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]-N-(3-pyridyl)isonipecotamide Formula: C19H18BrN5OS MolecularWeight: 444.34812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CN=CC=C2)C3=NN=C(C=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CN=CC=C2)C3=NN=C(C=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C19H18BrN5OS/c20-17-5-4-16(27-17)15-3-6-18(24-23-15)25-10-7-13(8-11-25)19(26)22-14-2-1-9-21-12-14/h1-6,9,12-13H,7-8,10-11H2,(H,22,26)