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

Systemtic Name: 6-methyl-2-(3-oxidanylidene-1,4-diazepan-1-yl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-(3-oxo-1,4-diazepan-1-yl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile Traditional Name: 2-(3-keto-1,4-diazepan-1-yl)-6-methyl-nicotinonitrile Formula: C12H14N4O MolecularWeight: 230.26576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)N2CCCNC(=O)C2

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)N2CCCNC(=O)C2

InChI

InChI=1S/C12H14N4O/c1-9-3-4-10(7-13)12(15-9)16-6-2-5-14-11(17)8-16/h3-4H,2,5-6,8H2,1H3,(H,14,17)