2-(4-bromanyl-2,3,5-trimethyl-phenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,3,5-trimethyl-phenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,3,5-trimethyl-phenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromo-2,3,5-trimethylphenoxy)-1-[4-(3-chlorophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,3,5-trimethylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromo-2,3,5-trimethyl-phenoxy)-1-[4-(3-chlorophenyl)piperazino]ethanone Formula: C21H24BrClN2O2 MolecularWeight: 451.78446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Br)C)C)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Br)C)C)OCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24BrClN2O2/c1-14-11-19(15(2)16(3)21(14)22)27-13-20(26)25-9-7-24(8-10-25)18-6-4-5-17(23)12-18/h4-6,11-12H,7-10,13H2,1-3H3