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

Systemtic Name: 3-(3-bromanylphenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(3-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 3-(3-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromophenoxy)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(3-bromophenoxy)-1-[4-(2,5-dimethoxybenzyl)piperazino]propan-1-one Formula: C22H27BrN2O4 MolecularWeight: 463.36478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCOC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H27BrN2O4/c1-27-19-6-7-21(28-2)17(14-19)16-24-9-11-25(12-10-24)22(26)8-13-29-20-5-3-4-18(23)15-20/h3-7,14-15H,8-13,16H2,1-2H3