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

Systemtic Name: 7-cyclohexyl-6-[4-(phenylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-(4-benzylphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-cyclohexyl-6-[4-(phenylmethyl)phenyl]-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 6-(4-benzylphenyl)-7-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-(4-benzylphenyl)-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C26H25N3O2 MolecularWeight: 411.4956

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2/c30-26(31)23-17-28-29-24(21-9-5-2-6-10-21)22(16-27-25(23)29)20-13-11-19(12-14-20)15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,16-17,21H,2,5-6,9-10,15H2,(H,30,31)