2-[2-(4-chlorophenyl)-6-ethanoyl-7-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)-6-ethanoyl-7-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid Openeye Name: 2-[6-acetyl-2-(4-chlorophenyl)-7-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid CAS Name: 2-[6-acetyl-2-(4-chlorophenyl)-7-methyl-5-pyrazolo[1,5-a]pyrimidinyl]benzoic acid IUPAC Name: 2-[6-acetyl-2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid Traditional Name: 2-[6-acetyl-2-(4-chlorophenyl)-7-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C4=CC=CC=C4C(=O)O)C(=O)C

Isomeric SMILES

CC1=C(C(=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C4=CC=CC=C4C(=O)O)C(=O)C

InChI

InChI=1S/C22H16ClN3O3/c1-12-20(13(2)27)21(16-5-3-4-6-17(16)22(28)29)24-19-11-18(25-26(12)19)14-7-9-15(23)10-8-14/h3-11H,1-2H3,(H,28,29)