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

Systemtic Name: 6-cyclohexyl-5-[4-(2-methoxyphenyl)phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 6-cyclohexyl-5-[4-(2-methoxyphenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-cyclohexyl-5-[4-(2-methoxyphenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-cyclohexyl-5-[4-(2-methoxyphenyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 6-cyclohexyl-7-keto-5-[4-(2-methoxyphenyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H25N3O4 MolecularWeight: 443.4944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC=C(C=C2)C3=C(C(=O)N4C(=N3)C=C(N4)C(=O)O)C5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1C2=CC=C(C=C2)C3=C(C(=O)N4C(=N3)C=C(N4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C26H25N3O4/c1-33-21-10-6-5-9-19(21)16-11-13-18(14-12-16)24-23(17-7-3-2-4-8-17)25(30)29-22(27-24)15-20(28-29)26(31)32/h5-6,9-15,17,28H,2-4,7-8H2,1H3,(H,31,32)