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

Systemtic Name: 7-oxidanylidene-3-[4-(phenylmethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-(4-benzylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 7-oxo-3-[4-(phenylmethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 3-(4-benzylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 3-(4-benzylphenyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(=O)O

InChI

InChI=1S/C20H15N3O3/c24-19-17(20(25)26)11-21-18-16(12-22-23(18)19)15-8-6-14(7-9-15)10-13-4-2-1-3-5-13/h1-9,11-12,22H,10H2,(H,25,26)