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

Systemtic Name: 3-[(3-azanyl-4-oxidanyl-phenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[(3-amino-4-hydroxy-phenyl)methyl-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[(3-amino-4-hydroxyphenyl)methyl-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[(3-amino-4-hydroxyphenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[(3-amino-4-hydroxy-benzyl)-(3-pyridylmethyl)amino]propionitrile Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O/c17-6-2-8-20(12-14-3-1-7-19-10-14)11-13-4-5-16(21)15(18)9-13/h1,3-5,7,9-10,21H,2,8,11-12,18H2