5-butyl-2-methyl-4-pyridin-3-ylcarbonyl-1H-pyrazol-3-one

Systemtic Name: 5-butyl-2-methyl-4-pyridin-3-ylcarbonyl-1H-pyrazol-3-one Openeye Name: 5-butyl-2-methyl-4-(pyridine-3-carbonyl)-1H-pyrazol-3-one CAS Name: 5-butyl-2-methyl-4-[oxo(3-pyridinyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-butyl-2-methyl-4-(pyridine-3-carbonyl)-1H-pyrazol-3-one Traditional Name: 5-butyl-2-methyl-4-nicotinoyl-3-pyrazolin-3-one Formula: C14H17N3O2 MolecularWeight: 259.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(N1)C)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCC1=C(C(=O)N(N1)C)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H17N3O2/c1-3-4-7-11-12(14(19)17(2)16-11)13(18)10-6-5-8-15-9-10/h5-6,8-9,16H,3-4,7H2,1-2H3