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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C20H20BrN5OS/c1-13-6-9-22-18(12-13)23-20(27)14-7-10-26(11-8-14)19-5-2-15(24-25-19)16-3-4-17(21)28-16/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,22,23,27)