4-(3,4-dimethoxyphenyl)-2-[6-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]hexyl]-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[6-[[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]amino]hexyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-[6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-[6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-[6-[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[6-[[2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]amino]hexyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C31H41N3O6 MolecularWeight: 551.67374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCCNCC(C4=CC(=C(C=C4)O)CO)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCCNCC(C4=CC(=C(C=C4)O)CO)O)OC

InChI

InChI=1S/C31H41N3O6/c1-39-28-14-12-22(18-29(28)40-2)30-24-9-5-6-10-25(24)31(38)34(33-30)16-8-4-3-7-15-32-19-27(37)21-11-13-26(36)23(17-21)20-35/h5-6,11-14,17-18,24-25,27,32,35-37H,3-4,7-10,15-16,19-20H2,1-2H3