4-(3,4-dimethoxyphenyl)-2-(6-oxidanylhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(6-oxidanylhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(6-hydroxyhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-(6-hydroxyhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(6-hydroxyhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(6-hydroxyhexyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CCCCCCO)OC

InChI

InChI=1S/C22H30N2O4/c1-27-19-12-11-16(15-20(19)28-2)21-17-9-5-6-10-18(17)22(26)24(23-21)13-7-3-4-8-14-25/h5-6,11-12,15,17-18,25H,3-4,7-10,13-14H2,1-2H3