[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] adamantane-1-carboxylate

Systemtic Name: [2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] adamantane-1-carboxylate Openeye Name: [5-phenyl-2-(p-tolyl)pyrazol-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(4-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-phenylpyrazol-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-phenyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28N2O2/c1-18-7-9-23(10-8-18)29-25(14-24(28-29)22-5-3-2-4-6-22)31-26(30)27-15-19-11-20(16-27)13-21(12-19)17-27/h2-10,14,19-21H,11-13,15-17H2,1H3