(E)-but-2-enedioic acid; 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole

Systemtic Name: (E)-but-2-enedioic acid; 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole Openeye Name: fumaric acid; 2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1H-benzimidazole CAS Name: (E)-2-butenedioic acid; 2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-benzimidazole IUPAC Name: (E)-but-2-enedioic acid; 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole Traditional Name: fumaric acid; 2-[[4-(2-pyridyl)piperazino]methyl]-1H-benzimidazole Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2)C4=CC=CC=N4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N5.C4H4O4/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17;5-3(6)1-2-4(7)8/h1-8H,9-13H2,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+