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

Systemtic Name: 5-[4-(4-cyanophenyl)phenyl]-6-cyclohexyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-[4-(4-cyanophenyl)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 5-[4-(4-cyanophenyl)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 5-[4-(4-cyanophenyl)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-[4-(4-cyanophenyl)phenyl]-6-cyclohexyl-7-keto-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H22N4O3 MolecularWeight: 438.47788

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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=C(C=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O3/c27-15-16-6-8-17(9-7-16)18-10-12-20(13-11-18)24-23(19-4-2-1-3-5-19)25(31)30-22(28-24)14-21(29-30)26(32)33/h6-14,19,29H,1-5H2,(H,32,33)