4-methylpentan-2-yl 3-(1-methyl-4-oxidanylidene-5-pyrazol-1-yl-pyridin-3-yl)benzoate

Systemtic Name: 4-methylpentan-2-yl 3-(1-methyl-4-oxidanylidene-5-pyrazol-1-yl-pyridin-3-yl)benzoate Openeye Name: 1,3-dimethylbutyl 3-(1-methyl-4-oxo-5-pyrazol-1-yl-3-pyridyl)benzoate CAS Name: 3-[1-methyl-4-oxo-5-(1-pyrazolyl)-3-pyridinyl]benzoic acid 4-methylpentan-2-yl ester IUPAC Name: 4-methylpentan-2-yl 3-(1-methyl-4-oxo-5-pyrazol-1-ylpyridin-3-yl)benzoate Traditional Name: 3-(4-keto-1-methyl-5-pyrazol-1-yl-3-pyridyl)benzoic acid 1,3-dimethylbutyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OC(=O)C1=CC=CC(=C1)C2=CN(C=C(C2=O)N3C=CC=N3)C

Isomeric SMILES

CC(C)CC(C)OC(=O)C1=CC=CC(=C1)C2=CN(C=C(C2=O)N3C=CC=N3)C

InChI

InChI=1S/C22H25N3O3/c1-15(2)11-16(3)28-22(27)18-8-5-7-17(12-18)19-13-24(4)14-20(21(19)26)25-10-6-9-23-25/h5-10,12-16H,11H2,1-4H3