N-(cyanomethyl)-2-[(3R,4S)-3-ethyl-1-hexanoyl-piperidin-4-yl]-N-methyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[(3R,4S)-3-ethyl-1-hexanoyl-piperidin-4-yl]-N-methyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[(3R,4S)-3-ethyl-1-hexanoyl-4-piperidyl]-N-methyl-acetamide CAS Name: N-(cyanomethyl)-2-[(3R,4S)-3-ethyl-1-(1-oxohexyl)-4-piperidinyl]-N-methylacetamide IUPAC Name: N-(cyanomethyl)-2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]-N-methylacetamide Traditional Name: 2-[(3R,4S)-1-caproyl-3-ethyl-4-piperidyl]-N-(cyanomethyl)-N-methyl-acetamide Formula: C18H31N3O2 MolecularWeight: 321.45764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCC(C(C1)CC)CC(=O)N(C)CC#N

Isomeric SMILES

CCCCCC(=O)N1CC[C@H]([C@H](C1)CC)CC(=O)N(C)CC#N

InChI

InChI=1S/C18H31N3O2/c1-4-6-7-8-17(22)21-11-9-16(15(5-2)14-21)13-18(23)20(3)12-10-19/h15-16H,4-9,11-14H2,1-3H3/t15-,16-/m0/s1