6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(2,2-diethoxyethyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(2,2-diethoxyethyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 6-[(2-chloro-6-fluoro-phenyl)methyl]-N-(2,2-diethoxyethyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 6-[(2-chloro-6-fluorophenyl)methyl]-N-(2,2-diethoxyethyl)-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 6-[(2-chloro-6-fluorophenyl)methyl]-N-(2,2-diethoxyethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-N-(2,2-diethoxyethyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C22H26ClFN4O3 MolecularWeight: 448.918243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CNC(=O)C1=C2N=C(C(=C(N2N=C1)C)CC3=C(C=CC=C3Cl)F)C)OCC

Isomeric SMILES

CCOC(CNC(=O)C1=C2N=C(C(=C(N2N=C1)C)CC3=C(C=CC=C3Cl)F)C)OCC

InChI

InChI=1S/C22H26ClFN4O3/c1-5-30-20(31-6-2)12-25-22(29)17-11-26-28-14(4)15(13(3)27-21(17)28)10-16-18(23)8-7-9-19(16)24/h7-9,11,20H,5-6,10,12H2,1-4H3,(H,25,29)