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

Systemtic Name: 2-[(5S,7R)-3-oxidanyl-1-adamantyl]-1-[4-(phenylcarbonyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzoylpiperazin-1-yl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone CAS Name: 1-(4-benzoyl-1-piperazinyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone IUPAC Name: 1-(4-benzoylpiperazin-1-yl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Traditional Name: 1-(4-benzoylpiperazino)-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)(C3)O)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H30N2O3/c26-20(15-22-11-17-10-18(12-22)14-23(28,13-17)16-22)24-6-8-25(9-7-24)21(27)19-4-2-1-3-5-19/h1-5,17-18,28H,6-16H2/t17-,18+,22?,23?