3-[(3-chlorophenyl)-(2-cyanoethyl)amino]propanenitrile

Systemtic Name: 3-[(3-chlorophenyl)-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[3-chloro-N-(2-cyanoethyl)anilino]propanenitrile CAS Name: 3-[3-chloro-N-(2-cyanoethyl)anilino]propanenitrile IUPAC Name: 3-[3-chloro-N-(2-cyanoethyl)anilino]propanenitrile Traditional Name: 3-[3-chloro-N-(2-cyanoethyl)anilino]propionitrile Formula: C12H12ClN3 MolecularWeight: 233.69678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N(CCC#N)CCC#N

InChI

InChI=1S/C12H12ClN3/c13-11-4-1-5-12(10-11)16(8-2-6-14)9-3-7-15/h1,4-5,10H,2-3,8-9H2