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

Systemtic Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; ethanedioic acid Openeye Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; oxalic acid CAS Name: 1-[4-[(2-bromophenyl)methyl]-1-piperazinyl]-2-phenoxyethanone; oxalic acid IUPAC Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: 1-[4-(2-bromobenzyl)piperazino]-2-phenoxy-ethanone; oxalic acid Formula: C21H23BrN2O6 MolecularWeight: 479.32112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Br)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Br)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21BrN2O2.C2H2O4/c20-18-9-5-4-6-16(18)14-21-10-12-22(13-11-21)19(23)15-24-17-7-2-1-3-8-17;3-1(4)2(5)6/h1-9H,10-15H2;(H,3,4)(H,5,6)