1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-chloranyl-6-fluoranyl-phenyl)ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-chloranyl-6-fluoranyl-phenyl)ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-chloro-6-fluoro-phenyl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazinyl]-2-(2-chloro-6-fluorophenyl)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone Traditional Name: 1-[4-(1-adamantyl)piperazino]-2-(2-chloro-6-fluoro-phenyl)ethanone Formula: C22H28ClFN2O MolecularWeight: 390.921923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=C(C=CC=C2Cl)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=C(C=CC=C2Cl)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28ClFN2O/c23-19-2-1-3-20(24)18(19)11-21(27)25-4-6-26(7-5-25)22-12-15-8-16(13-22)10-17(9-15)14-22/h1-3,15-17H,4-14H2