2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetonitrile CAS Name: 2-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(2-ethylbutanoyl)piperazino]acetonitrile Formula: C12H21N3O MolecularWeight: 223.31464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N3O/c1-3-11(4-2)12(16)15-9-7-14(6-5-13)8-10-15/h11H,3-4,6-10H2,1-2H3