2-(1-adamantyl)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(5-chloro-2-methyl-phenyl)piperazino]ethanone Formula: C23H31ClN2O MolecularWeight: 386.95804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31ClN2O/c1-16-2-3-20(24)11-21(16)25-4-6-26(7-5-25)22(27)15-23-12-17-8-18(13-23)10-19(9-17)14-23/h2-3,11,17-19H,4-10,12-15H2,1H3