3-(5-oxidanylidene-3-propyl-4H-pyrazol-1-yl)propanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)CCC#N

Isomeric SMILES

CCCC1=NN(C(=O)C1)CCC#N

InChI

InChI=1S/C9H13N3O/c1-2-4-8-7-9(13)12(11-8)6-3-5-10/h2-4,6-7H2,1H3