2-[(2S)-3-(4-ethylpiperazin-1-yl)-2-oxidanyl-propoxy]-2-methyl-propanenitrile

Systemtic Name: 2-[(2S)-3-(4-ethylpiperazin-1-yl)-2-oxidanyl-propoxy]-2-methyl-propanenitrile Openeye Name: 2-[(2S)-3-(4-ethylpiperazin-1-yl)-2-hydroxy-propoxy]-2-methyl-propanenitrile CAS Name: 2-[(2S)-3-(4-ethyl-1-piperazinyl)-2-hydroxypropoxy]-2-methylpropanenitrile IUPAC Name: 2-[(2S)-3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-2-methylpropanenitrile Traditional Name: 2-[(2S)-3-(4-ethylpiperazino)-2-hydroxy-propoxy]-2-methyl-propionitrile Formula: C13H25N3O2 MolecularWeight: 255.3565

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(COC(C)(C)C#N)O

Isomeric SMILES

CCN1CCN(CC1)C[C@@H](COC(C)(C)C#N)O

InChI

InChI=1S/C13H25N3O2/c1-4-15-5-7-16(8-6-15)9-12(17)10-18-13(2,3)11-14/h12,17H,4-10H2,1-3H3/t12-/m0/s1