(4-pyrazol-1-ylphenyl)methyl adamantane-1-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl adamantane-1-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=CC=C(C=C4)N5C=CC=N5

InChI

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