3-phenylprop-2-ynyl N-(2-oxidanylideneazepan-3-yl)carbamate

Systemtic Name: 3-phenylprop-2-ynyl N-(2-oxidanylideneazepan-3-yl)carbamate Openeye Name: 3-phenylprop-2-ynyl N-(2-oxoazepan-3-yl)carbamate CAS Name: N-(2-oxo-3-azepanyl)carbamic acid 3-phenylprop-2-ynyl ester IUPAC Name: 3-phenylprop-2-ynyl N-(2-oxoazepan-3-yl)carbamate Traditional Name: N-(2-ketoazepan-3-yl)carbamic acid 3-phenylprop-2-ynyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)OCC#CC2=CC=CC=C2

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)OCC#CC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3/c19-15-14(10-4-5-11-17-15)18-16(20)21-12-6-9-13-7-2-1-3-8-13/h1-3,7-8,14H,4-5,10-12H2,(H,17,19)(H,18,20)