1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-2-(3,4-dimethoxyphenyl)ethanone Formula: C21H22ClFN2O4 MolecularWeight: 420.861783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F)OC

InChI

InChI=1S/C21H22ClFN2O4/c1-28-18-6-3-14(11-19(18)29-2)12-20(26)24-7-9-25(10-8-24)21(27)16-13-15(22)4-5-17(16)23/h3-6,11,13H,7-10,12H2,1-2H3