2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]ethanenitrile

Systemtic Name: 2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]ethanenitrile Openeye Name: 2-[5-(azepan-1-yl)-2-oxo-1-pyridyl]acetonitrile CAS Name: 2-[5-(1-azepanyl)-2-oxo-1-pyridinyl]acetonitrile IUPAC Name: 2-[5-(azepan-1-yl)-2-oxopyridin-1-yl]acetonitrile Traditional Name: 2-[5-(azepan-1-yl)-2-keto-1-pyridyl]acetonitrile Formula: C13H17N3O MolecularWeight: 231.29358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN(C(=O)C=C2)CC#N

Isomeric SMILES

C1CCCN(CC1)C2=CN(C(=O)C=C2)CC#N

InChI

InChI=1S/C13H17N3O/c14-7-10-16-11-12(5-6-13(16)17)15-8-3-1-2-4-9-15/h5-6,11H,1-4,8-10H2