3-(5-tert-butyl-2-oxidanylidene-azepan-1-yl)propanenitrile

Systemtic Name: 3-(5-tert-butyl-2-oxidanylidene-azepan-1-yl)propanenitrile Openeye Name: 3-(5-tert-butyl-2-oxo-azepan-1-yl)propanenitrile CAS Name: 3-(5-tert-butyl-2-oxo-1-azepanyl)propanenitrile IUPAC Name: 3-(5-tert-butyl-2-oxoazepan-1-yl)propanenitrile Traditional Name: 3-(5-tert-butyl-2-keto-azepan-1-yl)propionitrile Formula: C13H22N2O MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)N(CC1)CCC#N

Isomeric SMILES

CC(C)(C)C1CCC(=O)N(CC1)CCC#N

InChI

InChI=1S/C13H22N2O/c1-13(2,3)11-5-6-12(16)15(10-7-11)9-4-8-14/h11H,4-7,9-10H2,1-3H3