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

Systemtic Name: butyl 3-(1-methyl-4-oxidanylidene-5-pyrazol-1-yl-pyridin-3-yl)benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3/c1-3-4-11-26-20(25)16-8-5-7-15(12-16)17-13-22(2)14-18(19(17)24)23-10-6-9-21-23/h5-10,12-14H,3-4,11H2,1-2H3