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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C21H19BrN4O3S MolecularWeight: 487.36956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=NN=C(C=C4)C5=CC=C(S5)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C4=NN=C(C=C4)C5=CC=C(S5)Br

InChI

InChI=1S/C21H19BrN4O3S/c22-19-5-4-18(30-19)15-2-6-20(25-24-15)26-9-7-13(8-10-26)21(27)23-14-1-3-16-17(11-14)29-12-28-16/h1-6,11,13H,7-10,12H2,(H,23,27)