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

Systemtic Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] pentanoate Openeye Name: [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] pentanoate CAS Name: pentanoic acid [2-(2,3-dimethylphenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2,3-dimethylphenyl)-5-phenylpyrazol-3-yl] pentanoate Traditional Name: valeric acid [2-(2,3-dimethylphenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C22H24N2O2 MolecularWeight: 348.43816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC(=NN1C2=CC=CC(=C2C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)OC1=CC(=NN1C2=CC=CC(=C2C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2/c1-4-5-14-22(25)26-21-15-19(18-11-7-6-8-12-18)23-24(21)20-13-9-10-16(2)17(20)3/h6-13,15H,4-5,14H2,1-3H3