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

Systemtic Name: 2-[(5S,7R)-3-oxidanyl-1-adamantyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-(4-phenylpiperazino)ethanone Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H30N2O2/c25-20(24-8-6-23(7-9-24)19-4-2-1-3-5-19)15-21-11-17-10-18(12-21)14-22(26,13-17)16-21/h1-5,17-18,26H,6-16H2/t17-,18+,21?,22?