2-[3-[2-[bis(2-methylpropyl)amino]ethyl]-2-chloranyl-phenyl]ethanenitrile

Systemtic Name: 2-[3-[2-[bis(2-methylpropyl)amino]ethyl]-2-chloranyl-phenyl]ethanenitrile Openeye Name: 2-[2-chloro-3-[2-(diisobutylamino)ethyl]phenyl]acetonitrile CAS Name: 2-[3-[2-[bis(2-methylpropyl)amino]ethyl]-2-chlorophenyl]acetonitrile IUPAC Name: 2-[3-[2-[bis(2-methylpropyl)amino]ethyl]-2-chlorophenyl]acetonitrile Traditional Name: 2-[2-chloro-3-[2-(diisobutylamino)ethyl]phenyl]acetonitrile Formula: C18H27ClN2 MolecularWeight: 306.87338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC1=CC=CC(=C1Cl)CC#N)CC(C)C

Isomeric SMILES

CC(C)CN(CCC1=CC=CC(=C1Cl)CC#N)CC(C)C

InChI

InChI=1S/C18H27ClN2/c1-14(2)12-21(13-15(3)4)11-9-17-7-5-6-16(8-10-20)18(17)19/h5-7,14-15H,8-9,11-13H2,1-4H3