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

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

Systemtic Name:1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone
Openeye Name:1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone
CAS Name:1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone
IUPAC Name:1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone
Traditional Name:1-[4-(3-chlorophenyl)piperazino]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone
Formula: C22H29ClN2O2
MolecularWeight: 388.93086
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H29ClN2O2/c23-18-2-1-3-19(9-18)24-4-6-25(7-5-24)20(26)14-21-10-16-8-17(11-21)13-22(27,12-16)15-21/h1-3,9,16-17,27H,4-8,10-15H2/t16-,17+,21?,22?


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