1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone

Systemtic Name: 1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone Openeye Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone CAS Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-hydroxy-1-adamantyl)-1-(4-m-anisoylpiperazino)ethanone Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C24H32N2O4/c1-30-20-4-2-3-19(10-20)22(28)26-7-5-25(6-8-26)21(27)15-23-11-17-9-18(12-23)14-24(29,13-17)16-23/h2-4,10,17-18,29H,5-9,11-16H2,1H3