3-[3-[2-azanylethyl(phenyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 3-[3-[2-azanylethyl(phenyl)amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 3-[3-[N-(2-aminoethyl)anilino]-2-hydroxy-propoxy]benzonitrile CAS Name: 3-[3-[N-(2-aminoethyl)anilino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 3-[3-[N-(2-aminoethyl)anilino]-2-hydroxypropoxy]benzonitrile Traditional Name: 3-[3-[N-(2-aminoethyl)anilino]-2-hydroxy-propoxy]benzonitrile Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCN)CC(COC2=CC=CC(=C2)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCN)CC(COC2=CC=CC(=C2)C#N)O

InChI

InChI=1S/C18H21N3O2/c19-9-10-21(16-6-2-1-3-7-16)13-17(22)14-23-18-8-4-5-15(11-18)12-20/h1-8,11,17,22H,9-10,13-14,19H2