2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-4-yl]-6-thiophen-2-yl-pyridazin-3-one

Systemtic Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-4-yl]-6-thiophen-2-yl-pyridazin-3-one Openeye Name: 2-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-piperidyl]-6-(2-thienyl)pyridazin-3-one CAS Name: 2-[1-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-4-piperidinyl]-6-thiophen-2-yl-3-pyridazinone IUPAC Name: 2-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one Traditional Name: 2-[1-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)-4-piperidyl]-6-(2-thienyl)pyridazin-3-one Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)C=CC(=N2)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1N2C(=O)C=CC(=N2)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H21N3O4S/c26-21-6-4-17(20-2-1-13-30-20)23-25(21)16-7-9-24(10-8-16)22(27)15-3-5-18-19(14-15)29-12-11-28-18/h1-6,13-14,16H,7-12H2