(1,3-diphenylpyrazol-4-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O3/c29-25-19-10-7-11-20(25)15-21(14-19)26(30)31-17-22-16-28(23-12-5-2-6-13-23)27-24(22)18-8-3-1-4-9-18/h1-6,8-9,12-13,16,19-21H,7,10-11,14-15,17H2