[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] hexanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] hexanoate Openeye Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] hexanoate CAS Name: hexanoic acid [2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl] hexanoate Traditional Name: hexanoic acid [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2/c1-4-5-7-12-23(26)27-22-16-20(19-10-8-6-9-11-19)24-25(22)21-14-13-17(2)15-18(21)3/h6,8-11,13-16H,4-5,7,12H2,1-3H3