2-(1-adamantyl)-1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(5-chloro-2-fluoro-benzoyl)piperazino]ethanone Formula: C23H28ClFN2O2 MolecularWeight: 418.932023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C=CC(=C5)Cl)F

Isomeric SMILES

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C=CC(=C5)Cl)F

InChI

InChI=1S/C23H28ClFN2O2/c24-18-1-2-20(25)19(10-18)22(29)27-5-3-26(4-6-27)21(28)14-23-11-15-7-16(12-23)9-17(8-15)13-23/h1-2,10,15-17H,3-9,11-14H2