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

Systemtic Name: 3-methylbutyl 3-(1-methyl-4-oxidanylidene-5-pyrazol-1-yl-pyridin-3-yl)benzoate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-15(2)8-11-27-21(26)17-7-4-6-16(12-17)18-13-23(3)14-19(20(18)25)24-10-5-9-22-24/h4-7,9-10,12-15H,8,11H2,1-3H3