2-[[3-(4-azanylphenoxy)-2-oxidanyl-propyl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[3-(4-azanylphenoxy)-2-oxidanyl-propyl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[3-(4-aminophenoxy)-2-hydroxy-propyl]-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[3-(4-aminophenoxy)-2-hydroxypropyl]-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[3-(4-aminophenoxy)-2-hydroxypropyl]-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[3-(4-aminophenoxy)-2-hydroxy-propyl]-(cyanomethyl)amino]acetonitrile Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)OCC(CN(CC#N)CC#N)O

Isomeric SMILES

C1=CC(=CC=C1N)OCC(CN(CC#N)CC#N)O

InChI

InChI=1S/C13H16N4O2/c14-5-7-17(8-6-15)9-12(18)10-19-13-3-1-11(16)2-4-13/h1-4,12,18H,7-10,16H2