1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone Openeye Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone CAS Name: 1-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone IUPAC Name: 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Traditional Name: 1-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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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)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C23H31ClN2O2/c1-16-2-3-19(24)9-20(16)25-4-6-26(7-5-25)21(27)14-22-10-17-8-18(11-22)13-23(28,12-17)15-22/h2-3,9,17-18,28H,4-8,10-15H2,1H3/t17-,18+,22?,23?