3-(3-oxidanylidene-4-propan-2-yl-1H-pyrazol-2-yl)propanenitrile

Systemtic Name: 3-(3-oxidanylidene-4-propan-2-yl-1H-pyrazol-2-yl)propanenitrile Openeye Name: 3-(4-isopropyl-3-oxo-1H-pyrazol-2-yl)propanenitrile CAS Name: 3-(3-oxo-4-propan-2-yl-1H-pyrazol-2-yl)propanenitrile IUPAC Name: 3-(3-oxo-4-propan-2-yl-1H-pyrazol-2-yl)propanenitrile Traditional Name: 3-(4-isopropyl-5-keto-3-pyrazolin-1-yl)propionitrile Formula: C9H13N3O MolecularWeight: 179.21902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CNN(C1=O)CCC#N

Isomeric SMILES

CC(C)C1=CNN(C1=O)CCC#N

InChI

InChI=1S/C9H13N3O/c1-7(2)8-6-11-12(9(8)13)5-3-4-10/h6-7,11H,3,5H2,1-2H3