3-[(3-azanyl-4-oxidanyl-phenyl)methyl-phenyl-amino]propanenitrile

Systemtic Name: 3-[(3-azanyl-4-oxidanyl-phenyl)methyl-phenyl-amino]propanenitrile Openeye Name: 3-[N-[(3-amino-4-hydroxy-phenyl)methyl]anilino]propanenitrile CAS Name: 3-[N-[(3-amino-4-hydroxyphenyl)methyl]anilino]propanenitrile IUPAC Name: 3-[N-[(3-amino-4-hydroxyphenyl)methyl]anilino]propanenitrile Traditional Name: 3-(N-(3-amino-4-hydroxy-benzyl)anilino)propionitrile Formula: C16H17N3O MolecularWeight: 267.32568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CC2=CC(=C(C=C2)O)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CC2=CC(=C(C=C2)O)N

InChI

InChI=1S/C16H17N3O/c17-9-4-10-19(14-5-2-1-3-6-14)12-13-7-8-16(20)15(18)11-13/h1-3,5-8,11,20H,4,10,12,18H2