5-(4-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 7-(4-benzyloxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 5-(4-chlorophenyl)-7-(4-phenylmethoxyphenyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-7-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 7-(4-benzoxyphenyl)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C26H18ClN3O3 MolecularWeight: 455.89242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CC(=NC4=CC(=NN34)C(=O)O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CC(=NC4=CC(=NN34)C(=O)O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H18ClN3O3/c27-20-10-6-18(7-11-20)22-14-24(30-25(28-22)15-23(29-30)26(31)32)19-8-12-21(13-9-19)33-16-17-4-2-1-3-5-17/h1-15H,16H2,(H,31,32)