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

Systemtic Name: 7-oxidanylidene-6-phenethyl-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-7-oxo-6-phenethyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-oxo-6-phenethyl-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 7-oxo-6-phenethyl-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-7-keto-6-phenethyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C28H23N3O4 MolecularWeight: 465.49992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(N=C3C(=CNN3C2=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(N=C3C(=CNN3C2=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O4/c32-27-23(16-11-19-7-3-1-4-8-19)25(30-26-24(28(33)34)17-29-31(26)27)21-12-14-22(15-13-21)35-18-20-9-5-2-6-10-20/h1-10,12-15,17,29H,11,16,18H2,(H,33,34)