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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(4-hydroxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4/c1-27-19-12-7-14(13-20(19)28-2)21-17-5-3-4-6-18(17)22(26)24(23-21)15-8-10-16(25)11-9-15/h3-4,7-13,17-18,25H,5-6H2,1-2H3