1-(3,5-dimethyl-1-adamantyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(3,5-dimethyl-1-adamantyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-adamantyl)ethanone CAS Name: 1-(3,5-dimethyl-1-adamantyl)-2-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-adamantyl)ethanone Traditional Name: 2-(4-benzylpiperazino)-1-(3,5-dimethyl-1-adamantyl)ethanone Formula: C25H36N2O MolecularWeight: 380.56614

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)CN4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C(=O)CN4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C25H36N2O/c1-23-12-21-13-24(2,17-23)19-25(14-21,18-23)22(28)16-27-10-8-26(9-11-27)15-20-6-4-3-5-7-20/h3-7,21H,8-19H2,1-2H3