[2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-chloranylbenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-chloranylbenzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-(2,4-dimethylphenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propan-2-ylpyrazol-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C21H21ClN2O2 MolecularWeight: 368.85664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)C)OC(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)C)OC(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN2O2/c1-13(2)18-12-20(26-21(25)16-6-8-17(22)9-7-16)24(23-18)19-10-5-14(3)11-15(19)4/h5-13H,1-4H3