2-[3-(2-azanylethylamino)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-(2-azanylethylamino)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[3-(2-aminoethylamino)-2-hydroxy-propoxy]benzonitrile CAS Name: 2-[3-(2-aminoethylamino)-2-hydroxypropoxy]benzonitrile IUPAC Name: 2-[3-(2-aminoethylamino)-2-hydroxypropoxy]benzonitrile Traditional Name: 2-[3-(2-aminoethylamino)-2-hydroxy-propoxy]benzonitrile Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCC(CNCCN)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCC(CNCCN)O

InChI

InChI=1S/C12H17N3O2/c13-5-6-15-8-11(16)9-17-12-4-2-1-3-10(12)7-14/h1-4,11,15-16H,5-6,8-9,13H2