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

Systemtic Name: 1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-(2,4-dimethylphenoxy)ethanone Openeye Name: 1-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-2-(2,4-dimethylphenoxy)ethanone CAS Name: 1-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-(2,4-dimethylphenoxy)ethanone IUPAC Name: 1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(2,4-dimethylphenoxy)ethanone Traditional Name: 1-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-2-(2,4-dimethylphenoxy)ethanone Formula: C21H22ClFN2O3 MolecularWeight: 404.862383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F)C

InChI

InChI=1S/C21H22ClFN2O3/c1-14-3-6-19(15(2)11-14)28-13-20(26)24-7-9-25(10-8-24)21(27)17-12-16(22)4-5-18(17)23/h3-6,11-12H,7-10,13H2,1-2H3