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

Systemtic Name: 3-[[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]propyl-diethyl-ammonium Formula: C21H23Cl2F3N5O+ MolecularWeight: 489.34143

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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)Cl)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2F3N5O/c1-3-30(4-2)9-5-8-27-20(32)17-12-19-28-16(13-6-7-14(22)15(23)10-13)11-18(21(24,25)26)31(19)29-17/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,27,32)/p+1