3-[(5-bromanyl-2-methanoyl-phenyl)-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[(5-bromanyl-2-methanoyl-phenyl)-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[5-bromo-2-formyl-N-(3-pyridylmethyl)anilino]propanenitrile CAS Name: 3-[5-bromo-2-formyl-N-(3-pyridinylmethyl)anilino]propanenitrile IUPAC Name: 3-[5-bromo-2-formyl-N-(pyridin-3-ylmethyl)anilino]propanenitrile Traditional Name: 3-[5-bromo-2-formyl-N-(3-pyridylmethyl)anilino]propionitrile Formula: C16H14BrN3O MolecularWeight: 344.20586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN3O/c17-15-5-4-14(12-21)16(9-15)20(8-2-6-18)11-13-3-1-7-19-10-13/h1,3-5,7,9-10,12H,2,8,11H2