3-bromanyl-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 3-bromanyl-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 6-(4-benzyloxyphenyl)-3-bromo-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 3-bromo-7-cyclohexyl-6-(4-phenylmethoxyphenyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 3-bromo-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 6-(4-benzoxyphenyl)-3-bromo-7-cyclohexyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H24BrN3O3 MolecularWeight: 506.39106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrN3O3/c27-22-23(26(31)32)29-30-24(19-9-5-2-6-10-19)21(15-28-25(22)30)18-11-13-20(14-12-18)33-16-17-7-3-1-4-8-17/h1,3-4,7-8,11-15,19H,2,5-6,9-10,16H2,(H,31,32)