5-(2,2-dimethylpropyl)-2-ethyl-4-pyridin-3-ylcarbonyl-1H-pyrazol-3-one

Systemtic Name: 5-(2,2-dimethylpropyl)-2-ethyl-4-pyridin-3-ylcarbonyl-1H-pyrazol-3-one Openeye Name: 5-(2,2-dimethylpropyl)-2-ethyl-4-(pyridine-3-carbonyl)-1H-pyrazol-3-one CAS Name: 5-(2,2-dimethylpropyl)-2-ethyl-4-[oxo(3-pyridinyl)methyl]-1H-pyrazol-3-one IUPAC Name: 5-(2,2-dimethylpropyl)-2-ethyl-4-(pyridine-3-carbonyl)-1H-pyrazol-3-one Traditional Name: 2-ethyl-5-neopentyl-4-nicotinoyl-3-pyrazolin-3-one Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N1)CC(C)(C)C)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCN1C(=O)C(=C(N1)CC(C)(C)C)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H21N3O2/c1-5-19-15(21)13(12(18-19)9-16(2,3)4)14(20)11-7-6-8-17-10-11/h6-8,10,18H,5,9H2,1-4H3