4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyridine-2,3-diamine trihydrochloride

Systemtic Name: 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyridine-2,3-diamine trihydrochloride Openeye Name: 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]-1-piperidyl]ethyl]pyridine-2,3-diamine trihydrochloride CAS Name: 4-[2-[4-[[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]amino]-1-piperidinyl]ethyl]pyridine-2,3-diamine trihydrochloride IUPAC Name: 4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyridine-2,3-diamine trihydrochloride Traditional Name: [1-[2-(2,3-diamino-4-pyridyl)ethyl]-4-piperidyl]-[1-(4-fluorobenzyl)benzimidazol-2-yl]amine trihydrochloride Formula: C26H33Cl3FN7 MolecularWeight: 568.944523

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=C(C(=NC=C5)N)N.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=C(C(=NC=C5)N)N.Cl.Cl.Cl

InChI

InChI=1S/C26H30FN7.3ClH/c27-20-7-5-18(6-8-20)17-34-23-4-2-1-3-22(23)32-26(34)31-21-11-15-33(16-12-21)14-10-19-9-13-30-25(29)24(19)28;;;/h1-9,13,21H,10-12,14-17,28H2,(H2,29,30)(H,31,32);3*1H