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

Systemtic Name: 7-oxidanylidene-5-(4-phenylmethoxyphenyl)-6-(3-phenylpropyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-7-oxo-6-(3-phenylpropyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-oxo-5-(4-phenylmethoxyphenyl)-6-(3-phenylpropyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 7-oxo-5-(4-phenylmethoxyphenyl)-6-(3-phenylpropyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-7-keto-6-(3-phenylpropyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=C(N=C3C(=CNN3C2=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=C(N=C3C(=CNN3C2=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H25N3O4/c33-28-24(13-7-12-20-8-3-1-4-9-20)26(31-27-25(29(34)35)18-30-32(27)28)22-14-16-23(17-15-22)36-19-21-10-5-2-6-11-21/h1-6,8-11,14-18,30H,7,12-13,19H2,(H,34,35)