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

Systemtic Name: 1-[6-(5-bromanylthiophen-2-yl)pyridazin-3-yl]-N-(3-ethanoylphenyl)piperidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-1-[6-(5-bromo-2-thiophenyl)-3-pyridazinyl]-4-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]piperidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-1-[6-(5-bromo-2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O2S/c1-14(28)16-3-2-4-17(13-16)24-22(29)15-9-11-27(12-10-15)21-8-5-18(25-26-21)19-6-7-20(23)30-19/h2-8,13,15H,9-12H2,1H3,(H,24,29)