7-oxidanylidene-5-(4-phenylmethoxyphenyl)-6-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 7-oxidanylidene-5-(4-phenylmethoxyphenyl)-6-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 6-benzyl-5-(4-benzyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 7-oxo-5-(4-phenylmethoxyphenyl)-6-(phenylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-benzyl-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-benzyl-7-keto-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C3C=C(NN3C2=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H21N3O4/c31-26-22(15-18-7-3-1-4-8-18)25(28-24-16-23(27(32)33)29-30(24)26)20-11-13-21(14-12-20)34-17-19-9-5-2-6-10-19/h1-14,16,29H,15,17H2,(H,32,33)