diethyl-[3-[[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]propyl]azanium

Systemtic Name: diethyl-[3-[[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]propyl]azanium Openeye Name: diethyl-[3-[[5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[[5-(4-methylphenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[5-(p-tolyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl]ammonium Formula: C22H27F3N5O+ MolecularWeight: 434.47789

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)C)C(F)(F)F

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)C)C(F)(F)F

InChI

InChI=1S/C22H26F3N5O/c1-4-29(5-2)12-6-11-26-21(31)18-14-20-27-17(16-9-7-15(3)8-10-16)13-19(22(23,24)25)30(20)28-18/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,26,31)/p+1