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

Systemtic Name: 1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone Openeye Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(1-naphthylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(1-naphthalenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-[4-(1-naphthylmethyl)piperazino]ethanone Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CC45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CC45C[C@H]6C[C@@H](C4)CC(C6)(C5)O

InChI

InChI=1S/C27H34N2O2/c30-25(17-26-13-20-12-21(14-26)16-27(31,15-20)19-26)29-10-8-28(9-11-29)18-23-6-3-5-22-4-1-2-7-24(22)23/h1-7,20-21,31H,8-19H2/t20-,21+,26?,27?