3-[4-oxidanylbutyl(phenyl)amino]propanenitrile

Systemtic Name: 3-[4-oxidanylbutyl(phenyl)amino]propanenitrile Openeye Name: 3-[N-(4-hydroxybutyl)anilino]propanenitrile CAS Name: 3-[N-(4-hydroxybutyl)anilino]propanenitrile IUPAC Name: 3-[N-(4-hydroxybutyl)anilino]propanenitrile Traditional Name: 3-[N-(4-hydroxybutyl)anilino]propionitrile Formula: C13H18N2O MolecularWeight: 218.29482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCCCO)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)N(CCCCO)CCC#N

InChI

InChI=1S/C13H18N2O/c14-9-6-11-15(10-4-5-12-16)13-7-2-1-3-8-13/h1-3,7-8,16H,4-6,10-12H2