2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[4-(2-adamantyl)-1-piperazinyl]-N-(3-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[4-(2-adamantyl)piperazin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[4-(2-adamantyl)piperazino]-N-(3-chloro-4-fluoro-phenyl)acetamide Formula: C22H29ClFN3O MolecularWeight: 405.936563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)Cl)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)Cl)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H29ClFN3O/c23-19-12-18(1-2-20(19)24)25-21(28)13-26-3-5-27(6-4-26)22-16-8-14-7-15(10-16)11-17(22)9-14/h1-2,12,14-17,22H,3-11,13H2,(H,25,28)