(1,3-diphenylpyrazol-4-yl)methyl adamantane-1-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl adamantane-1-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N2O2/c30-26(27-14-19-11-20(15-27)13-21(12-19)16-27)31-18-23-17-29(24-9-5-2-6-10-24)28-25(23)22-7-3-1-4-8-22/h1-10,17,19-21H,11-16,18H2