4,6-dimethyl-2-(3-oxidanylidene-1,4-diazepan-1-yl)pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(3-oxidanylidene-1,4-diazepan-1-yl)pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-(3-oxo-1,4-diazepan-1-yl)-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile Traditional Name: 2-(3-keto-1,4-diazepan-1-yl)-4,6-dimethyl-nicotinonitrile Formula: C13H16N4O MolecularWeight: 244.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CCCNC(=O)C2)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CCCNC(=O)C2)C

InChI

InChI=1S/C13H16N4O/c1-9-6-10(2)16-13(11(9)7-14)17-5-3-4-15-12(18)8-17/h6H,3-5,8H2,1-2H3,(H,15,18)