2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidin-1-yl]hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidin-1-yl]hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-1-piperidyl]hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-1-piperidinyl]hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidin-1-yl]hexyl]isoindole-1,3-dione Traditional Name: 2-[6-[4-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidino]hexyl]isoindoline-1,3-quinone Formula: C35H42N4O5 MolecularWeight: 598.73178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)CCCCCCN5C(=O)C6=CC=CC=C6C5=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)CCCCCCN5C(=O)C6=CC=CC=C6C5=O)OC

InChI

InChI=1S/C35H42N4O5/c1-43-30-16-15-24(23-31(30)44-2)32-26-11-5-6-12-27(26)35(42)39(36-32)25-17-21-37(22-18-25)19-9-3-4-10-20-38-33(40)28-13-7-8-14-29(28)34(38)41/h5-8,13-16,23,25-27H,3-4,9-12,17-22H2,1-2H3