(4aS,8aR)-2-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: (4aS,8aR)-2-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-2-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-2-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-2-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-2-(1-adamantyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C26H32N2O3/c1-30-22-8-7-19(12-23(22)31-2)24-20-5-3-4-6-21(20)25(29)28(27-24)26-13-16-9-17(14-26)11-18(10-16)15-26/h3-4,7-8,12,16-18,20-21H,5-6,9-11,13-15H2,1-2H3/t16?,17?,18?,20-,21+,26?/m0/s1