(4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[(4-morpholin-4-ylphenyl)methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[(4-morpholin-4-ylphenyl)methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[(4-morpholinophenyl)methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[[4-(4-morpholinyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-[(4-morpholin-4-ylphenyl)methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-(4-morpholinobenzyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)CC4=CC=C(C=C4)N5CCOCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)CC4=CC=C(C=C4)N5CCOCC5)OC

InChI

InChI=1S/C27H31N3O4/c1-32-24-12-9-20(17-25(24)33-2)26-22-5-3-4-6-23(22)27(31)30(28-26)18-19-7-10-21(11-8-19)29-13-15-34-16-14-29/h3-4,7-12,17,22-23H,5-6,13-16,18H2,1-2H3/t22-,23+/m0/s1