2-(4-bromanylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-bromophenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-bromophenoxy)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-bromophenoxy)-1-[4-(2,3-dimethylphenyl)piperazino]propan-1-one Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(C)OC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H25BrN2O2/c1-15-5-4-6-20(16(15)2)23-11-13-24(14-12-23)21(25)17(3)26-19-9-7-18(22)8-10-19/h4-10,17H,11-14H2,1-3H3