3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C18H20N4O6S MolecularWeight: 420.4396

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=NNC(=O)C=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=NNC(=O)C=C4)OC1

InChI

InChI=1S/C18H20N4O6S/c23-17-5-3-14(19-20-17)18(24)21-6-8-22(9-7-21)29(25,26)13-2-4-15-16(12-13)28-11-1-10-27-15/h2-5,12H,1,6-11H2,(H,20,23)