3-[[3-(methylamino)-2-oxidanyl-propyl]-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[[3-(methylamino)-2-oxidanyl-propyl]-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[[2-hydroxy-3-(methylamino)propyl]-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[[2-hydroxy-3-(methylamino)propyl]-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[[2-hydroxy-3-(methylamino)propyl]-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[[2-hydroxy-3-(methylamino)propyl]-(3-pyridylmethyl)amino]propionitrile Formula: C13H20N4O MolecularWeight: 248.3241

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(CN(CCC#N)CC1=CN=CC=C1)O

Isomeric SMILES

CNCC(CN(CCC#N)CC1=CN=CC=C1)O

InChI

InChI=1S/C13H20N4O/c1-15-9-13(18)11-17(7-3-5-14)10-12-4-2-6-16-8-12/h2,4,6,8,13,15,18H,3,7,9-11H2,1H3