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

Systemtic Name: (4aS,8aR)-2-cyclooctyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-2-cyclooctyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-2-cyclooctyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-2-cyclooctyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-2-cyclooctyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCCC4)OC

InChI

InChI=1S/C24H32N2O3/c1-28-21-15-14-17(16-22(21)29-2)23-19-12-8-9-13-20(19)24(27)26(25-23)18-10-6-4-3-5-7-11-18/h8-9,14-16,18-20H,3-7,10-13H2,1-2H3/t19-,20+/m0/s1