N-(3-ethanoylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-1-[6-(2-thienyl)pyridazin-3-yl]piperidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-1-(6-thiophen-2-yl-3-pyridazinyl)-4-piperidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-1-[6-(2-thienyl)pyridazin-3-yl]isonipecotamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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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=CS4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)C4=CC=CS4

InChI

InChI=1S/C22H22N4O2S/c1-15(27)17-4-2-5-18(14-17)23-22(28)16-9-11-26(12-10-16)21-8-7-19(24-25-21)20-6-3-13-29-20/h2-8,13-14,16H,9-12H2,1H3,(H,23,28)