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

Systemtic Name: (2S)-2-methyl-3-[4-(3-methylbutanoyl)piperazin-1-yl]propanenitrile Openeye Name: (2S)-2-methyl-3-[4-(3-methylbutanoyl)piperazin-1-yl]propanenitrile CAS Name: (2S)-2-methyl-3-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]propanenitrile IUPAC Name: (2S)-2-methyl-3-[4-(3-methylbutanoyl)piperazin-1-yl]propanenitrile Traditional Name: (2S)-3-(4-isovalerylpiperazino)-2-methyl-propionitrile Formula: C13H23N3O MolecularWeight: 237.34122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CN1CCN(CC1)C(=O)CC(C)C)C#N

InChI

InChI=1S/C13H23N3O/c1-11(2)8-13(17)16-6-4-15(5-7-16)10-12(3)9-14/h11-12H,4-8,10H2,1-3H3/t12-/m1/s1