2-[(3-bromophenyl)methyl]-1-pyridin-2-yl-piperazine; (E)-but-2-enedioic acid

Systemtic Name: 2-[(3-bromophenyl)methyl]-1-pyridin-2-yl-piperazine; (E)-but-2-enedioic acid Openeye Name: 2-[(3-bromophenyl)methyl]-1-(2-pyridyl)piperazine; fumaric acid CAS Name: 2-[(3-bromophenyl)methyl]-1-(2-pyridinyl)piperazine; (E)-2-butenedioic acid IUPAC Name: 2-[(3-bromophenyl)methyl]-1-pyridin-2-ylpiperazine; (E)-but-2-enedioic acid Traditional Name: 2-(3-bromobenzyl)-1-(2-pyridyl)piperazine; fumaric acid Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CC2=CC(=CC=C2)Br)C3=CC=CC=N3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(C(CN1)CC2=CC(=CC=C2)Br)C3=CC=CC=N3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H18BrN3.C4H4O4/c17-14-5-3-4-13(10-14)11-15-12-18-8-9-20(15)16-6-1-2-7-19-16;5-3(6)1-2-4(7)8/h1-7,10,15,18H,8-9,11-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+