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

Systemtic Name: [2-(3-methylphenyl)-5-phenyl-pyrazol-3-yl] hexanoate Openeye Name: [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] hexanoate CAS Name: hexanoic acid [2-(3-methylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-phenylpyrazol-3-yl] hexanoate Traditional Name: hexanoic acid [2-(m-tolyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC(=NN1C2=CC=CC(=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCC(=O)OC1=CC(=NN1C2=CC=CC(=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2/c1-3-4-6-14-22(25)26-21-16-20(18-11-7-5-8-12-18)23-24(21)19-13-9-10-17(2)15-19/h5,7-13,15-16H,3-4,6,14H2,1-2H3