7-oxidanylidene-3-[4-(2-phenylpropan-2-yl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 7-oxidanylidene-3-[4-(2-phenylpropan-2-yl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-[4-(1-methyl-1-phenyl-ethyl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 7-oxo-3-[4-(2-phenylpropan-2-yl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 7-oxo-3-[4-(2-phenylpropan-2-yl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 3-(4-cumylphenyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(=O)O

InChI

InChI=1S/C22H19N3O3/c1-22(2,15-6-4-3-5-7-15)16-10-8-14(9-11-16)17-13-24-25-19(17)23-12-18(20(25)26)21(27)28/h3-13,24H,1-2H3,(H,27,28)