2-[3-(1-azanylethylamino)-1-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-(1-azanylethylamino)-1-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[3-(1-aminoethylamino)-1-hydroxy-propoxy]benzonitrile CAS Name: 2-[3-(1-aminoethylamino)-1-hydroxypropoxy]benzonitrile IUPAC Name: 2-[3-(1-aminoethylamino)-1-hydroxypropoxy]benzonitrile Traditional Name: 2-[3-(1-aminoethylamino)-1-hydroxy-propoxy]benzonitrile Formula: C12H17N3O2 MolecularWeight: 235.28228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N)NCCC(O)OC1=CC=CC=C1C#N

Isomeric SMILES

CC(N)NCCC(O)OC1=CC=CC=C1C#N

InChI

InChI=1S/C12H17N3O2/c1-9(14)15-7-6-12(16)17-11-5-3-2-4-10(11)8-13/h2-5,9,12,15-16H,6-7,14H2,1H3