2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]ethanenitrile Openeye Name: 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]acetonitrile CAS Name: 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]acetonitrile IUPAC Name: 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]acetonitrile Traditional Name: 2-[4-[(2,6-dimethylcyclohexyl)amino]phenyl]acetonitrile Formula: C16H22N2 MolecularWeight: 242.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1NC2=CC=C(C=C2)CC#N)C

Isomeric SMILES

CC1CCCC(C1NC2=CC=C(C=C2)CC#N)C

InChI

InChI=1S/C16H22N2/c1-12-4-3-5-13(2)16(12)18-15-8-6-14(7-9-15)10-11-17/h6-9,12-13,16,18H,3-5,10H2,1-2H3