(E)-but-2-enedioic acid; 5-fluoranyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole

Systemtic Name: (E)-but-2-enedioic acid; 5-fluoranyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole Openeye Name: 5-fluoro-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1H-indole; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-fluoro-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1H-indole IUPAC Name: (E)-but-2-enedioic acid; 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole Traditional Name: 5-fluoro-2-[[4-(2-pyridyl)piperazino]methyl]-1H-indole; fumaric acid Formula: C22H23FN4O4 MolecularWeight: 426.440823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(N2)C=CC(=C3)F)C4=CC=CC=N4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(N2)C=CC(=C3)F)C4=CC=CC=N4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H19FN4.C4H4O4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18;5-3(6)1-2-4(7)8/h1-6,11-12,21H,7-10,13H2;1-2H,(H,5,6)(H,7,8)/b;2-1+