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3-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile

3-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile

Systemtic Name:3-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile
Openeye Name:3-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile
CAS Name:3-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methyl-(2-cyanoethyl)amino]propanenitrile
IUPAC Name:3-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)methyl-(2-cyanoethyl)amino]propanenitrile
Traditional Name:3-[(5-tert-butyl-3-chloro-2-hydroxy-benzyl)-(2-cyanoethyl)amino]propionitrile
Formula: C17H22ClN3O
MolecularWeight: 319.82908
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)CN(CCC#N)CCC#N


Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)CN(CCC#N)CCC#N


InChI

InChI=1S/C17H22ClN3O/c1-17(2,3)14-10-13(16(22)15(18)11-14)12-21(8-4-6-19)9-5-7-20/h10-11,22H,4-5,8-9,12H2,1-3H3


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