6-cyclohexyl-5-[4-(3-fluoranyl-4-methoxy-phenyl)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 6-cyclohexyl-5-[4-(3-fluoranyl-4-methoxy-phenyl)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 6-cyclohexyl-5-[4-(3-fluoro-4-methoxy-phenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-cyclohexyl-5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-cyclohexyl-5-[4-(3-fluoro-4-methoxyphenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 6-cyclohexyl-5-[4-(3-fluoro-4-methoxy-phenyl)phenyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H24FN3O4 MolecularWeight: 461.484863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=C(C(=O)N4C(=N3)C=C(N4)C(=O)O)C5CCCCC5)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=C(C(=O)N4C(=N3)C=C(N4)C(=O)O)C5CCCCC5)F

InChI

InChI=1S/C26H24FN3O4/c1-34-21-12-11-18(13-19(21)27)15-7-9-17(10-8-15)24-23(16-5-3-2-4-6-16)25(31)30-22(28-24)14-20(29-30)26(32)33/h7-14,16,29H,2-6H2,1H3,(H,32,33)