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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-chloranylbutanoate Openeye Name: [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] 4-chlorobutanoate CAS Name: 4-chlorobutanoic 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-chlorobutanoate Traditional Name: 4-chlorobutyric acid [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C18H23ClN2O2 MolecularWeight: 334.84042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)C)OC(=O)CCCCl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C(C)C)OC(=O)CCCCl)C

InChI

InChI=1S/C18H23ClN2O2/c1-12(2)15-11-17(23-18(22)6-5-9-19)21(20-15)16-8-7-13(3)10-14(16)4/h7-8,10-12H,5-6,9H2,1-4H3