2-(4-bromanylphenoxy)-1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-[(3-bromophenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 1-[4-(3-bromobenzyl)piperazino]-2-(4-bromophenoxy)ethanone; oxalic acid Formula: C21H22Br2N2O6 MolecularWeight: 558.21718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20Br2N2O2.C2H2O4/c20-16-4-6-18(7-5-16)25-14-19(24)23-10-8-22(9-11-23)13-15-2-1-3-17(21)12-15;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)