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

Systemtic Name: hexyl 3-(1-methyl-4-oxidanylidene-5-pyrazol-1-yl-pyridin-3-yl)benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-3-4-5-6-13-28-22(27)18-10-7-9-17(14-18)19-15-24(2)16-20(21(19)26)25-12-8-11-23-25/h7-12,14-16H,3-6,13H2,1-2H3