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

Systemtic Name: 3-[4-(3-methylbutanoyl)piperazin-1-yl]propanenitrile Openeye Name: 3-[4-(3-methylbutanoyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(3-methylbutanoyl)piperazin-1-yl]propanenitrile Traditional Name: 3-(4-isovalerylpiperazino)propionitrile Formula: C12H21N3O MolecularWeight: 223.31464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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