2-[2-(4-chlorophenyl)-2-adamantyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C29H35ClN2O2 MolecularWeight: 479.0534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3(C4CC5CC(C4)CC3C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3(C4CC5CC(C4)CC3C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C29H35ClN2O2/c1-34-27-8-6-26(7-9-27)31-10-12-32(13-11-31)28(33)19-29(22-2-4-25(30)5-3-22)23-15-20-14-21(17-23)18-24(29)16-20/h2-9,20-21,23-24H,10-19H2,1H3