3-[4-(2-ethylbutanoyl)piperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(2-ethylbutanoyl)piperazin-1-yl]propanenitrile Openeye Name: 3-[4-(2-ethylbutanoyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(2-ethylbutanoyl)piperazin-1-yl]propanenitrile Traditional Name: 3-[4-(2-ethylbutanoyl)piperazino]propionitrile Formula: C13H23N3O MolecularWeight: 237.34122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)CCC#N

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)CCC#N

InChI

InChI=1S/C13H23N3O/c1-3-12(4-2)13(17)16-10-8-15(9-11-16)7-5-6-14/h12H,3-5,7-11H2,1-2H3