2-(4-bromanyl-2,6-dimethyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-bromo-2,6-dimethyl-phenoxy)ethanone CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-bromo-2,6-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(4-bromo-2,6-dimethyl-phenoxy)ethanone Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C)Br

InChI

InChI=1S/C21H25BrN2O2/c1-16-12-19(22)13-17(2)21(16)26-15-20(25)24-10-8-23(9-11-24)14-18-6-4-3-5-7-18/h3-7,12-13H,8-11,14-15H2,1-2H3