2-[4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]butyl]isoindoline-1,3-quinone Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCN4C(=O)C5=CC=CC=C5C4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCN4C(=O)C5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C28H29N3O5/c1-35-23-14-13-18(17-24(23)36-2)25-19-9-3-4-10-20(19)28(34)31(29-25)16-8-7-15-30-26(32)21-11-5-6-12-22(21)27(30)33/h3-6,11-14,17,19-20H,7-10,15-16H2,1-2H3