3-[(3-azanyl-4-chloranyl-phenyl)methyl-phenyl-amino]propanenitrile

Systemtic Name: 3-[(3-azanyl-4-chloranyl-phenyl)methyl-phenyl-amino]propanenitrile Openeye Name: 3-[N-[(3-amino-4-chloro-phenyl)methyl]anilino]propanenitrile CAS Name: 3-[N-[(3-amino-4-chlorophenyl)methyl]anilino]propanenitrile IUPAC Name: 3-[N-[(3-amino-4-chlorophenyl)methyl]anilino]propanenitrile Traditional Name: 3-(N-(3-amino-4-chloro-benzyl)anilino)propionitrile Formula: C16H16ClN3 MolecularWeight: 285.77134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CC2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CC2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C16H16ClN3/c17-15-8-7-13(11-16(15)19)12-20(10-4-9-18)14-5-2-1-3-6-14/h1-3,5-8,11H,4,10,12,19H2