5-(4-methylphenyl)-N-[[6-[[[5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]methyl]pyridin-2-yl]methyl]-1H-pyrazol-3-amine trihydrochloride

Systemtic Name: 5-(4-methylphenyl)-N-[[6-[[[5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]methyl]pyridin-2-yl]methyl]-1H-pyrazol-3-amine trihydrochloride Openeye Name: 5-(p-tolyl)-N-[[6-[[[5-(p-tolyl)-1H-pyrazol-3-yl]amino]methyl]-2-pyridyl]methyl]-1H-pyrazol-3-amine trihydrochloride CAS Name: 5-(4-methylphenyl)-N-[[6-[[[5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]methyl]-2-pyridinyl]methyl]-1H-pyrazol-3-amine trihydrochloride IUPAC Name: 5-(4-methylphenyl)-N-[[6-[[[5-(4-methylphenyl)-1H-pyrazol-3-yl]amino]methyl]pyridin-2-yl]methyl]-1H-pyrazol-3-amine trihydrochloride Traditional Name: [5-(p-tolyl)-1H-pyrazol-3-yl]-[[6-[[[5-(p-tolyl)-1H-pyrazol-3-yl]amino]methyl]-2-pyridyl]methyl]amine trihydrochloride Formula: C27H30Cl3N7 MolecularWeight: 558.933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NN2)NCC3=NC(=CC=C3)CNC4=NNC(=C4)C5=CC=C(C=C5)C.Cl.Cl.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NN2)NCC3=NC(=CC=C3)CNC4=NNC(=C4)C5=CC=C(C=C5)C.Cl.Cl.Cl

InChI

InChI=1S/C27H27N7.3ClH/c1-18-6-10-20(11-7-18)24-14-26(33-31-24)28-16-22-4-3-5-23(30-22)17-29-27-15-25(32-34-27)21-12-8-19(2)9-13-21;;;/h3-15H,16-17H2,1-2H3,(H2,28,31,33)(H2,29,32,34);3*1H