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

Systemtic Name: 6-cyclohexyl-5-[4-(2-fluorophenyl)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 6-cyclohexyl-5-[4-(2-fluorophenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-cyclohexyl-5-[4-(2-fluorophenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-cyclohexyl-5-[4-(2-fluorophenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 6-cyclohexyl-5-[4-(2-fluorophenyl)phenyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C25H22FN3O3 MolecularWeight: 431.458883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)C5=CC=CC=C5F

Isomeric SMILES

C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)C5=CC=CC=C5F

InChI

InChI=1S/C25H22FN3O3/c26-19-9-5-4-8-18(19)15-10-12-17(13-11-15)23-22(16-6-2-1-3-7-16)24(30)29-21(27-23)14-20(28-29)25(31)32/h4-5,8-14,16,28H,1-3,6-7H2,(H,31,32)