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

Systemtic Name: 7-cyclohexyl-6-(3-fluoranyl-4-phenylmethoxy-phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-(4-benzyloxy-3-fluoro-phenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-cyclohexyl-6-(3-fluoro-4-phenylmethoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-cyclohexyl-6-(3-fluoro-4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-(4-benzoxy-3-fluoro-phenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C26H24FN3O3 MolecularWeight: 445.485463

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C26H24FN3O3/c27-22-13-19(11-12-23(22)33-16-17-7-3-1-4-8-17)20-14-28-25-21(26(31)32)15-29-30(25)24(20)18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18H,2,5-6,9-10,16H2,(H,31,32)