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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chloro-6-fluoro-phenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 6-(2-chloro-6-fluoro-benzyl)-5,7-dimethyl-N-piperonyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C24H20ClFN4O3 MolecularWeight: 466.892003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(C=NN12)C(=O)NCC3=CC4=C(C=C3)OCO4)C)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

CC1=C(C(=NC2=C(C=NN12)C(=O)NCC3=CC4=C(C=C3)OCO4)C)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C24H20ClFN4O3/c1-13-16(9-17-19(25)4-3-5-20(17)26)14(2)30-23(29-13)18(11-28-30)24(31)27-10-15-6-7-21-22(8-15)33-12-32-21/h3-8,11H,9-10,12H2,1-2H3,(H,27,31)