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

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone Openeye Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(2-methoxyphenyl)piperazino]ethanone Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C23H32N2O3/c1-28-20-5-3-2-4-19(20)24-6-8-25(9-7-24)21(26)15-22-11-17-10-18(12-22)14-23(27,13-17)16-22/h2-5,17-18,27H,6-16H2,1H3/t17-,18+,22?,23?