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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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