4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C28H26N4O6S MolecularWeight: 546.59424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C28H26N4O6S/c33-27-23-9-5-4-8-22(23)26(29-32(27)19-20-6-2-1-3-7-20)28(34)30-12-14-31(15-13-30)39(35,36)21-10-11-24-25(18-21)38-17-16-37-24/h1-11,18H,12-17,19H2