(1-phenylpyrazol-4-yl)methyl adamantane-1-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl adamantane-1-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H24N2O2/c24-20(21-9-15-6-16(10-21)8-17(7-15)11-21)25-14-18-12-22-23(13-18)19-4-2-1-3-5-19/h1-5,12-13,15-17H,6-11,14H2