4-[3-[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[3-(4-ethyl-2,3-dioxo-piperazin-1-yl)propoxy]benzonitrile CAS Name: 4-[3-(4-ethyl-2,3-dioxo-1-piperazinyl)propoxy]benzonitrile IUPAC Name: 4-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)propoxy]benzonitrile Traditional Name: 4-[3-(4-ethyl-2,3-diketo-piperazino)propoxy]benzonitrile Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)CCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CCN1CCN(C(=O)C1=O)CCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H19N3O3/c1-2-18-9-10-19(16(21)15(18)20)8-3-11-22-14-6-4-13(12-17)5-7-14/h4-7H,2-3,8-11H2,1H3