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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(4-chlorophenyl)-2-adamantyl]-1-(4-phenylpiperazino)ethanone Formula: C28H33ClN2O MolecularWeight: 449.02742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3(C4CC5CC(C4)CC3C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3(C4CC5CC(C4)CC3C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H33ClN2O/c29-25-8-6-22(7-9-25)28(23-15-20-14-21(17-23)18-24(28)16-20)19-27(32)31-12-10-30(11-13-31)26-4-2-1-3-5-26/h1-9,20-21,23-24H,10-19H2