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

Systemtic Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonyl-2-methyl-pyridazin-3-one Openeye Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-pyridazin-3-one CAS Name: 6-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2-methyl-3-pyridazinone IUPAC Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-2-methylpyridazin-3-one Traditional Name: 6-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-pyridazin-3-one Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H22N4O6S/c1-21-18(24)6-4-15(20-21)19(25)22-7-9-23(10-8-22)30(26,27)14-3-5-16-17(13-14)29-12-2-11-28-16/h3-6,13H,2,7-12H2,1H3