2-(3-bromanyl-1-adamantyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-fluorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-(4-fluorophenyl)piperazino]ethanone Formula: C22H28BrFN2O MolecularWeight: 435.372923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrFN2O/c23-22-12-16-9-17(13-22)11-21(10-16,15-22)14-20(27)26-7-5-25(6-8-26)19-3-1-18(24)2-4-19/h1-4,16-17H,5-15H2