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

Systemtic Name: 2-[5-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentyl]isoindole-1,3-dione Traditional Name: 2-[5-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentyl]isoindoline-1,3-quinone Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCN4C(=O)C5=CC=CC=C5C4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCN4C(=O)C5=CC=CC=C5C4=O)OC

InChI

InChI=1S/C29H31N3O5/c1-36-24-15-14-19(18-25(24)37-2)26-20-10-4-5-11-21(20)29(35)32(30-26)17-9-3-8-16-31-27(33)22-12-6-7-13-23(22)28(31)34/h4-7,12-15,18,20-21H,3,8-11,16-17H2,1-2H3