(phenylmethyl) N-[1-(2-cyanoethyl)-7-oxidanylidene-azepan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(2-cyanoethyl)-7-oxidanylidene-azepan-4-yl]carbamate Openeye Name: benzyl N-[1-(2-cyanoethyl)-7-oxo-azepan-4-yl]carbamate CAS Name: N-[1-(2-cyanoethyl)-7-oxo-4-azepanyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2-cyanoethyl)-7-oxoazepan-4-yl]carbamate Traditional Name: N-[1-(2-cyanoethyl)-7-keto-azepan-4-yl]carbamic acid benzyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1NC(=O)OCC2=CC=CC=C2)CCC#N

Isomeric SMILES

C1CC(=O)N(CCC1NC(=O)OCC2=CC=CC=C2)CCC#N

InChI

InChI=1S/C17H21N3O3/c18-10-4-11-20-12-9-15(7-8-16(20)21)19-17(22)23-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-9,11-13H2,(H,19,22)