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

Systemtic Name: 6-(cyclohexylmethyl)-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-(cyclohexylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-(cyclohexylmethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 6-(cyclohexylmethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-(cyclohexylmethyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=C(N=C3C(=CNN3C2=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CC2=C(N=C3C(=CNN3C2=O)C(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4/c31-26-22(15-18-7-3-1-4-8-18)24(29-25-23(27(32)33)16-28-30(25)26)20-11-13-21(14-12-20)34-17-19-9-5-2-6-10-19/h2,5-6,9-14,16,18,28H,1,3-4,7-8,15,17H2,(H,32,33)