(2S)-2-(4-bromanylphenoxy)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-(4-bromophenoxy)propan-1-one CAS Name: (2S)-1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-(4-bromophenoxy)-1-propanone IUPAC Name: (2S)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(4-bromophenoxy)propan-1-one Traditional Name: (2S)-1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-(4-bromophenoxy)propan-1-one Formula: C21H22BrFN2O3 MolecularWeight: 449.313383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrFN2O3/c1-14(26)16-3-8-20(19(23)13-16)24-9-11-25(12-10-24)21(27)15(2)28-18-6-4-17(22)5-7-18/h3-8,13,15H,9-12H2,1-2H3/t15-/m0/s1