(2S)-2-(4-bromanylphenoxy)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-bromophenoxy)propan-1-one CAS Name: (2S)-1-[4-(4-acetylphenyl)-1-piperazinyl]-2-(4-bromophenoxy)-1-propanone IUPAC Name: (2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(4-bromophenoxy)propan-1-one Traditional Name: (2S)-1-[4-(4-acetylphenyl)piperazino]-2-(4-bromophenoxy)propan-1-one Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3/c1-15(25)17-3-7-19(8-4-17)23-11-13-24(14-12-23)21(26)16(2)27-20-9-5-18(22)6-10-20/h3-10,16H,11-14H2,1-2H3/t16-/m0/s1