2-(3-oxidanylidene-1,4-diazepan-1-yl)pyridine-3-carbonitrile

Systemtic Name: 2-(3-oxidanylidene-1,4-diazepan-1-yl)pyridine-3-carbonitrile Openeye Name: 2-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile CAS Name: 2-(3-oxo-1,4-diazepan-1-yl)-3-pyridinecarbonitrile IUPAC Name: 2-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile Traditional Name: 2-(3-keto-1,4-diazepan-1-yl)nicotinonitrile Formula: C11H12N4O MolecularWeight: 216.23918

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)CN(C1)C2=C(C=CC=N2)C#N

Isomeric SMILES

C1CNC(=O)CN(C1)C2=C(C=CC=N2)C#N

InChI

InChI=1S/C11H12N4O/c12-7-9-3-1-4-14-11(9)15-6-2-5-13-10(16)8-15/h1,3-4H,2,5-6,8H2,(H,13,16)