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

Systemtic Name: 3-[[3-chloranyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[3-chloro-5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl-diethyl-ammonium Formula: C21H24ClF3N5O+ MolecularWeight: 454.89637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H23ClF3N5O/c1-3-29(4-2)12-8-11-26-20(31)18-17(22)19-27-15(14-9-6-5-7-10-14)13-16(21(23,24)25)30(19)28-18/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,26,31)/p+1