tert-butyl 2-cyanoazepane-1-carboxylate

Systemtic Name: tert-butyl 2-cyanoazepane-1-carboxylate Openeye Name: tert-butyl 2-cyanoazepane-1-carboxylate CAS Name: 2-cyano-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyanoazepane-1-carboxylate Traditional Name: 2-cyanoazepane-1-carboxylic acid tert-butyl ester Formula: C12H20N2O2 MolecularWeight: 224.2994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCCC1C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCCC1C#N

InChI

InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-8-6-4-5-7-10(14)9-13/h10H,4-8H2,1-3H3