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

Systemtic Name: 3-(5-oxidanylidene-3-propyl-4H-pyrazol-1-yl)benzenecarbonitrile Openeye Name: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzonitrile CAS Name: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzonitrile IUPAC Name: 3-(5-oxo-3-propyl-4H-pyrazol-1-yl)benzonitrile Traditional Name: 3-(5-keto-3-propyl-2-pyrazolin-1-yl)benzonitrile Formula: C13H13N3O MolecularWeight: 227.26182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCC1=NN(C(=O)C1)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H13N3O/c1-2-4-11-8-13(17)16(15-11)12-6-3-5-10(7-12)9-14/h3,5-7H,2,4,8H2,1H3