N-(1-adamantyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-(4-veratrylpiperazino)acetamide Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C25H37N3O3/c1-30-22-4-3-18(12-23(22)31-2)16-27-5-7-28(8-6-27)17-24(29)26-25-13-19-9-20(14-25)11-21(10-19)15-25/h3-4,12,19-21H,5-11,13-17H2,1-2H3,(H,26,29)