3-ethyl-5-(3-oxidanylidene-1,2-diazinan-1-yl)benzenecarbonitrile

Systemtic Name: 3-ethyl-5-(3-oxidanylidene-1,2-diazinan-1-yl)benzenecarbonitrile Openeye Name: 3-ethyl-5-(3-oxohexahydropyridazin-1-yl)benzonitrile CAS Name: 3-ethyl-5-(3-oxo-1-diazinanyl)benzonitrile IUPAC Name: 3-ethyl-5-(3-oxodiazinan-1-yl)benzonitrile Traditional Name: 3-ethyl-5-(3-ketohexahydropyridazin-1-yl)benzonitrile Formula: C13H15N3O MolecularWeight: 229.2777

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C#N)N2CCCC(=O)N2

Isomeric SMILES

CCC1=CC(=CC(=C1)C#N)N2CCCC(=O)N2

InChI

InChI=1S/C13H15N3O/c1-2-10-6-11(9-14)8-12(7-10)16-5-3-4-13(17)15-16/h6-8H,2-5H2,1H3,(H,15,17)