4-[4-(2-adamantyl)piperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione

Systemtic Name: 4-[4-(2-adamantyl)piperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione Openeye Name: 4-[4-(2-adamantyl)piperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl]isoindoline-1,3-dione CAS Name: 4-[4-(2-adamantyl)-1-piperazinyl]-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione IUPAC Name: 4-[4-(2-adamantyl)piperazin-1-yl]-2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione Traditional Name: 4-[4-(2-adamantyl)piperazino]-2-veratryl-isoindoline-1,3-quinone Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C5C6CC7CC(C6)CC5C7)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C5C6CC7CC(C6)CC5C7)OC

InChI

InChI=1S/C31H37N3O4/c1-37-26-7-6-19(17-27(26)38-2)18-34-30(35)24-4-3-5-25(28(24)31(34)36)32-8-10-33(11-9-32)29-22-13-20-12-21(15-22)16-23(29)14-20/h3-7,17,20-23,29H,8-16,18H2,1-2H3