4-(azepan-1-yl)but-2-ynyl N,N-dimethylcarbamate

Systemtic Name: 4-(azepan-1-yl)but-2-ynyl N,N-dimethylcarbamate Openeye Name: 4-(azepan-1-yl)but-2-ynyl N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid 4-(1-azepanyl)but-2-ynyl ester IUPAC Name: 4-(azepan-1-yl)but-2-ynyl N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid 4-(azepan-1-yl)but-2-ynyl ester Formula: C13H22N2O2 MolecularWeight: 238.32598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OCC#CCN1CCCCCC1

Isomeric SMILES

CN(C)C(=O)OCC#CCN1CCCCCC1

InChI

InChI=1S/C13H22N2O2/c1-14(2)13(16)17-12-8-7-11-15-9-5-3-4-6-10-15/h3-6,9-12H2,1-2H3