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

Systemtic Name: 2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-(4-tert-butylphenyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C3CC=CCC3C(=N2)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=O)C3CC=CCC3C(=N2)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H30N2O3/c1-26(2,3)18-11-13-19(14-12-18)28-25(29)21-9-7-6-8-20(21)24(27-28)17-10-15-22(30-4)23(16-17)31-5/h6-7,10-16,20-21H,8-9H2,1-5H3