1-adamantyl-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]methanone Formula: C28H33ClN2O MolecularWeight: 449.02742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

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