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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(N)NCC(COC1=CC=CC=C1C#N)O

Isomeric SMILES

CC(N)NCC(COC1=CC=CC=C1C#N)O

InChI

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