[2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-hexylbenzoate

Systemtic Name: [2-(4-methylphenyl)-5-phenyl-pyrazol-3-yl] 4-hexylbenzoate Openeye Name: [5-phenyl-2-(p-tolyl)pyrazol-3-yl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [2-(4-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-phenylpyrazol-3-yl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [5-phenyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C29H30N2O2 MolecularWeight: 438.5607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O2/c1-3-4-5-7-10-23-15-17-25(18-16-23)29(32)33-28-21-27(24-11-8-6-9-12-24)30-31(28)26-19-13-22(2)14-20-26/h6,8-9,11-21H,3-5,7,10H2,1-2H3