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

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-[3-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C23H28BrF3N2O MolecularWeight: 485.38043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrF3N2O/c24-22-12-16-8-17(13-22)11-21(10-16,15-22)14-20(30)29-6-4-28(5-7-29)19-3-1-2-18(9-19)23(25,26)27/h1-3,9,16-17H,4-8,10-15H2