[4-[(3-bromophenyl)methyl]piperazin-1-yl]-phenyl-methanone; ethanedioic acid

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-phenyl-methanone; ethanedioic acid Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(3-bromobenzyl)piperazino]-phenyl-methanone; oxalic acid Formula: C20H21BrN2O5 MolecularWeight: 449.29514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O.C2H2O4/c19-17-8-4-5-15(13-17)14-20-9-11-21(12-10-20)18(22)16-6-2-1-3-7-16;3-1(4)2(5)6/h1-8,13H,9-12,14H2;(H,3,4)(H,5,6)