2-(4-bromanylphenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]propan-1-one CAS Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]propan-1-one Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCO3)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCO3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H25BrN2O4/c1-16(29-19-5-3-18(23)4-6-19)22(26)25-10-8-24(9-11-25)15-17-2-7-20-21(14-17)28-13-12-27-20/h2-7,14,16H,8-13,15H2,1H3