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

Systemtic Name: (2S)-3-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-methyl-propanenitrile Openeye Name: (2S)-3-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-methyl-propanenitrile CAS Name: (2S)-3-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]-2-methylpropanenitrile IUPAC Name: (2S)-3-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-methylpropanenitrile Traditional Name: (2S)-3-[4-(2-ethylbutanoyl)piperazino]-2-methyl-propionitrile Formula: C14H25N3O MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C[C@H](C)C#N

InChI

InChI=1S/C14H25N3O/c1-4-13(5-2)14(18)17-8-6-16(7-9-17)11-12(3)10-15/h12-13H,4-9,11H2,1-3H3/t12-/m1/s1