(3-oxidanylidene-1,2-diphenyl-pyrazol-4-yl) adamantane-1-carboxylate

Systemtic Name: (3-oxidanylidene-1,2-diphenyl-pyrazol-4-yl) adamantane-1-carboxylate Openeye Name: (3-oxo-1,2-diphenyl-pyrazol-4-yl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (3-oxo-1,2-diphenyl-4-pyrazolyl) ester IUPAC Name: (3-oxo-1,2-diphenylpyrazol-4-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (3-keto-1,2-diphenyl-3-pyrazolin-4-yl) ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CN(N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CN(N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

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