4-(3,4-dimethoxyphenyl)-2-[(3-hydroxyphenyl)methyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[(3-hydroxyphenyl)methyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-[(3-hydroxyphenyl)methyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-[(3-hydroxyphenyl)methyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-[(3-hydroxyphenyl)methyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(3-hydroxybenzyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CC4=CC(=CC=C4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)CC4=CC(=CC=C4)O)OC

InChI

InChI=1S/C23H26N2O4/c1-28-20-11-10-16(13-21(20)29-2)22-18-8-3-4-9-19(18)23(27)25(24-22)14-15-6-5-7-17(26)12-15/h5-7,10-13,18-19,26H,3-4,8-9,14H2,1-2H3