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

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C27H24N4O6S MolecularWeight: 532.56766

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H24N4O6S/c32-26-22-9-5-4-8-21(22)25(28-31(26)19-6-2-1-3-7-19)27(33)29-12-14-30(15-13-29)38(34,35)20-10-11-23-24(18-20)37-17-16-36-23/h1-11,18H,12-17H2