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

Systemtic Name: 3-[(5-chloranyl-3-methyl-2-oxidanyl-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[(5-chloro-2-hydroxy-3-methyl-phenyl)methyl-(2-cyanoethyl)amino]propanenitrile CAS Name: 3-[(5-chloro-2-hydroxy-3-methylphenyl)methyl-(2-cyanoethyl)amino]propanenitrile IUPAC Name: 3-[(5-chloro-2-hydroxy-3-methylphenyl)methyl-(2-cyanoethyl)amino]propanenitrile Traditional Name: 3-[(5-chloro-2-hydroxy-3-methyl-benzyl)-(2-cyanoethyl)amino]propionitrile Formula: C14H16ClN3O MolecularWeight: 277.74934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)CN(CCC#N)CCC#N)Cl

Isomeric SMILES

CC1=CC(=CC(=C1O)CN(CCC#N)CCC#N)Cl

InChI

InChI=1S/C14H16ClN3O/c1-11-8-13(15)9-12(14(11)19)10-18(6-2-4-16)7-3-5-17/h8-9,19H,2-3,6-7,10H2,1H3