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

Systemtic Name: 3-[(2-azanyl-6-bromanyl-phenyl)methyl-phenyl-amino]propanenitrile Openeye Name: 3-[N-[(2-amino-6-bromo-phenyl)methyl]anilino]propanenitrile CAS Name: 3-[N-[(2-amino-6-bromophenyl)methyl]anilino]propanenitrile IUPAC Name: 3-[N-[(2-amino-6-bromophenyl)methyl]anilino]propanenitrile Traditional Name: 3-(N-(2-amino-6-bromo-benzyl)anilino)propionitrile Formula: C16H16BrN3 MolecularWeight: 330.22234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CC2=C(C=CC=C2Br)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CC2=C(C=CC=C2Br)N

InChI

InChI=1S/C16H16BrN3/c17-15-8-4-9-16(19)14(15)12-20(11-5-10-18)13-6-2-1-3-7-13/h1-4,6-9H,5,11-12,19H2