(2S)-2-methyl-3-(4-pentanoylpiperazin-1-yl)propanenitrile

Systemtic Name: (2S)-2-methyl-3-(4-pentanoylpiperazin-1-yl)propanenitrile Openeye Name: (2S)-2-methyl-3-(4-pentanoylpiperazin-1-yl)propanenitrile CAS Name: (2S)-2-methyl-3-[4-(1-oxopentyl)-1-piperazinyl]propanenitrile IUPAC Name: (2S)-2-methyl-3-(4-pentanoylpiperazin-1-yl)propanenitrile Traditional Name: (2S)-2-methyl-3-(4-valerylpiperazino)propionitrile Formula: C13H23N3O MolecularWeight: 237.34122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O/c1-3-4-5-13(17)16-8-6-15(7-9-16)11-12(2)10-14/h12H,3-9,11H2,1-2H3/t12-/m1/s1