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

Systemtic Name: 5-[4-(4-carboxyphenyl)phenyl]-6-cyclohexyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-[4-(4-carboxyphenyl)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 5-[4-(4-carboxyphenyl)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 5-[4-(4-carboxyphenyl)phenyl]-6-cyclohexyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-[4-(4-carboxyphenyl)phenyl]-6-cyclohexyl-7-keto-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H23N3O5 MolecularWeight: 457.47792

Click to see the large picture

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(=O)O

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(=O)O

InChI

InChI=1S/C26H23N3O5/c30-24-22(17-4-2-1-3-5-17)23(27-21-14-20(26(33)34)28-29(21)24)18-10-6-15(7-11-18)16-8-12-19(13-9-16)25(31)32/h6-14,17,28H,1-5H2,(H,31,32)(H,33,34)