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

Systemtic Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C22H22N4O6S MolecularWeight: 470.49828

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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)C5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=NNC(=O)C5=CC=CC=C54)OC1

InChI

InChI=1S/C22H22N4O6S/c27-21-17-5-2-1-4-16(17)20(23-24-21)22(28)25-8-10-26(11-9-25)33(29,30)15-6-7-18-19(14-15)32-13-3-12-31-18/h1-2,4-7,14H,3,8-13H2,(H,24,27)