3-[3-(1-chloroethyl)-5-(2-cyanopropyl)phenyl]-2-methyl-propanenitrile

Systemtic Name: 3-[3-(1-chloroethyl)-5-(2-cyanopropyl)phenyl]-2-methyl-propanenitrile Openeye Name: 3-[3-(1-chloroethyl)-5-(2-cyanopropyl)phenyl]-2-methyl-propanenitrile CAS Name: 3-[3-(1-chloroethyl)-5-(2-cyanopropyl)phenyl]-2-methylpropanenitrile IUPAC Name: 3-[3-(1-chloroethyl)-5-(2-cyanopropyl)phenyl]-2-methylpropanenitrile Traditional Name: 3-[3-(1-chloroethyl)-5-(2-cyanopropyl)phenyl]-2-methyl-propionitrile Formula: C16H19ClN2 MolecularWeight: 274.78846

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC(=C1)C(C)Cl)CC(C)C#N)C#N

Isomeric SMILES

CC(CC1=CC(=CC(=C1)C(C)Cl)CC(C)C#N)C#N

InChI

InChI=1S/C16H19ClN2/c1-11(9-18)4-14-6-15(5-12(2)10-19)8-16(7-14)13(3)17/h6-8,11-13H,4-5H2,1-3H3