2-[3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[2-hydroxy-3-[1-oxo-4-(p-tolyl)phthalazin-2-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[2-hydroxy-3-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[2-hydroxy-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-[1-keto-4-(p-tolyl)phthalazin-2-yl]propyl]isoindoline-1,3-quinone Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(CN4C(=O)C5=CC=CC=C5C4=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(CN4C(=O)C5=CC=CC=C5C4=O)O

InChI

InChI=1S/C26H21N3O4/c1-16-10-12-17(13-11-16)23-19-6-2-3-7-20(19)26(33)29(27-23)15-18(30)14-28-24(31)21-8-4-5-9-22(21)25(28)32/h2-13,18,30H,14-15H2,1H3