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

Systemtic Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone; ethanedioic acid Openeye Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-[(4-bromophenyl)methyl]-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-[(4-bromophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: [4-(4-bromobenzyl)piperazino]-(4-pyridyl)methanone; oxalic acid Formula: C19H20BrN3O5 MolecularWeight: 450.2832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O.C2H2O4/c18-16-3-1-14(2-4-16)13-20-9-11-21(12-10-20)17(22)15-5-7-19-8-6-15;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)