3-[(3-bromophenyl)methyl-(4-methylphenyl)amino]propanenitrile

Systemtic Name: 3-[(3-bromophenyl)methyl-(4-methylphenyl)amino]propanenitrile Openeye Name: 3-[N-[(3-bromophenyl)methyl]-4-methyl-anilino]propanenitrile CAS Name: 3-[N-[(3-bromophenyl)methyl]-4-methylanilino]propanenitrile IUPAC Name: 3-[N-[(3-bromophenyl)methyl]-4-methylanilino]propanenitrile Traditional Name: 3-(N-(3-bromobenzyl)-4-methyl-anilino)propionitrile Formula: C17H17BrN2 MolecularWeight: 329.23428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)CC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H17BrN2/c1-14-6-8-17(9-7-14)20(11-3-10-19)13-15-4-2-5-16(18)12-15/h2,4-9,12H,3,11,13H2,1H3