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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] adamantane-1-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C28H30N2O2 MolecularWeight: 426.55

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O2/c1-18-8-9-25(19(2)10-18)30-26(14-24(29-30)23-6-4-3-5-7-23)32-27(31)28-15-20-11-21(16-28)13-22(12-20)17-28/h3-10,14,20-22H,11-13,15-17H2,1-2H3