1-[2-[(4-fluorophenyl)methyl]-1-[1-[(3-nitropyridin-2-yl)amino]ethyl]piperidin-4-yl]benzimidazol-2-amine

Systemtic Name: 1-[2-[(4-fluorophenyl)methyl]-1-[1-[(3-nitropyridin-2-yl)amino]ethyl]piperidin-4-yl]benzimidazol-2-amine Openeye Name: 1-[2-[(4-fluorophenyl)methyl]-1-[1-[(3-nitro-2-pyridyl)amino]ethyl]-4-piperidyl]benzimidazol-2-amine CAS Name: 1-[2-[(4-fluorophenyl)methyl]-1-[1-[(3-nitro-2-pyridinyl)amino]ethyl]-4-piperidinyl]-2-benzimidazolamine IUPAC Name: 1-[2-[(4-fluorophenyl)methyl]-1-[1-[(3-nitropyridin-2-yl)amino]ethyl]piperidin-4-yl]benzimidazol-2-amine Traditional Name: 1-[4-(2-aminobenzimidazol-1-yl)-2-(4-fluorobenzyl)piperidino]ethyl-(3-nitro-2-pyridyl)amine Formula: C26H28FN7O2 MolecularWeight: 489.544623

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=C(C=CC=N1)[N+](=O)[O-])N2CCC(CC2CC3=CC=C(C=C3)F)N4C5=CC=CC=C5N=C4N

Isomeric SMILES

CC(NC1=C(C=CC=N1)[N+](=O)[O-])N2CCC(CC2CC3=CC=C(C=C3)F)N4C5=CC=CC=C5N=C4N

InChI

InChI=1S/C26H28FN7O2/c1-17(30-25-24(34(35)36)7-4-13-29-25)32-14-12-20(16-21(32)15-18-8-10-19(27)11-9-18)33-23-6-3-2-5-22(23)31-26(33)28/h2-11,13,17,20-21H,12,14-16H2,1H3,(H2,28,31)(H,29,30)