2-(3-bromanylphenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3-bromanylphenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(3-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(3-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(3-bromophenoxy)-1-[4-(2,5-dimethoxybenzyl)piperazino]ethanone Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN2O4/c1-26-18-6-7-20(27-2)16(12-18)14-23-8-10-24(11-9-23)21(25)15-28-19-5-3-4-17(22)13-19/h3-7,12-13H,8-11,14-15H2,1-2H3