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

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]ethanone Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN2O4/c22-17-2-4-18(5-3-17)28-15-21(25)24-9-7-23(8-10-24)14-16-1-6-19-20(13-16)27-12-11-26-19/h1-6,13H,7-12,14-15H2