7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-(4-benzyloxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-cyclohexyl-6-(4-phenylmethoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-(4-benzoxyphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C26H25N3O3 MolecularWeight: 427.495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c30-26(31)23-16-28-29-24(20-9-5-2-6-10-20)22(15-27-25(23)29)19-11-13-21(14-12-19)32-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17H2,(H,30,31)