4-[1-(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)propyl]benzenecarbonitrile

Systemtic Name: 4-[1-(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)propyl]benzenecarbonitrile Openeye Name: 4-[1-(5-amino-3-oxo-1H-pyrazol-2-yl)propyl]benzonitrile CAS Name: 4-[1-(5-amino-3-oxo-1H-pyrazol-2-yl)propyl]benzonitrile IUPAC Name: 4-[1-(5-amino-3-oxo-1H-pyrazol-2-yl)propyl]benzonitrile Traditional Name: 4-[1-(3-amino-5-keto-3-pyrazolin-1-yl)propyl]benzonitrile Formula: C13H14N4O MolecularWeight: 242.27646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C#N)N2C(=O)C=C(N2)N

Isomeric SMILES

CCC(C1=CC=C(C=C1)C#N)N2C(=O)C=C(N2)N

InChI

InChI=1S/C13H14N4O/c1-2-11(17-13(18)7-12(15)16-17)10-5-3-9(8-14)4-6-10/h3-7,11,16H,2,15H2,1H3