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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] heptanoate Openeye Name: [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] heptanoate CAS Name: heptanoic acid [2-(2,4-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-phenylpyrazol-3-yl] heptanoate Traditional Name: enanthic acid [2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2/c1-4-5-6-10-13-24(27)28-23-17-21(20-11-8-7-9-12-20)25-26(23)22-15-14-18(2)16-19(22)3/h7-9,11-12,14-17H,4-6,10,13H2,1-3H3