3-[2-cyanoethyl-[(3,5-dimethyl-2-oxidanyl-phenyl)methyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[(3,5-dimethyl-2-oxidanyl-phenyl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[(2-hydroxy-3,5-dimethyl-phenyl)methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-(2-hydroxy-3,5-dimethyl-benzyl)amino]propionitrile Formula: C15H19N3O MolecularWeight: 257.33086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN(CCC#N)CCC#N)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CN(CCC#N)CCC#N)O)C

InChI

InChI=1S/C15H19N3O/c1-12-9-13(2)15(19)14(10-12)11-18(7-3-5-16)8-4-6-17/h9-10,19H,3-4,7-8,11H2,1-2H3