3-[(2-azanyl-6-bromanyl-phenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[(2-azanyl-6-bromanyl-phenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[(2-amino-6-bromo-phenyl)methyl-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[(2-amino-6-bromophenyl)methyl-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[(2-amino-6-bromophenyl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[(2-amino-6-bromo-benzyl)-(3-pyridylmethyl)amino]propionitrile Formula: C16H17BrN4 MolecularWeight: 345.23698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4/c17-15-5-1-6-16(19)14(15)12-21(9-3-7-18)11-13-4-2-8-20-10-13/h1-2,4-6,8,10H,3,9,11-12,19H2