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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propan-2-yl-pyrazol-3-yl] 4-bromanylbenzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic 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-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(2,4-dimethylphenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O2/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