1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-3-(4-ethylphenyl)propan-1-one

Systemtic Name: 1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-3-(4-ethylphenyl)propan-1-one Openeye Name: 1-[4-(5-chloro-2-fluoro-benzoyl)piperazin-1-yl]-3-(4-ethylphenyl)propan-1-one CAS Name: 1-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-(4-ethylphenyl)-1-propanone IUPAC Name: 1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-(4-ethylphenyl)propan-1-one Traditional Name: 1-[4-(5-chloro-2-fluoro-benzoyl)piperazino]-3-(4-ethylphenyl)propan-1-one Formula: C22H24ClFN2O2 MolecularWeight: 402.889563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C22H24ClFN2O2/c1-2-16-3-5-17(6-4-16)7-10-21(27)25-11-13-26(14-12-25)22(28)19-15-18(23)8-9-20(19)24/h3-6,8-9,15H,2,7,10-14H2,1H3