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

Systemtic Name: 6-cyclohexyl-7-oxidanylidene-5-(4-phenoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 6-cyclohexyl-7-oxo-5-(4-phenoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-cyclohexyl-7-oxo-5-(4-phenoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-cyclohexyl-7-oxo-5-(4-phenoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 6-cyclohexyl-7-keto-5-(4-phenoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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)OC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O4/c29-24-22(16-7-3-1-4-8-16)23(26-21-15-20(25(30)31)27-28(21)24)17-11-13-19(14-12-17)32-18-9-5-2-6-10-18/h2,5-6,9-16,27H,1,3-4,7-8H2,(H,30,31)