3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-5-fluoranyl-4-methyl-benzenecarbonitrile

Systemtic Name: 3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-5-fluoranyl-4-methyl-benzenecarbonitrile Openeye Name: 3-fluoro-5-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]-4-methyl-benzonitrile CAS Name: 3-fluoro-5-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-4-methylbenzonitrile IUPAC Name: 3-fluoro-5-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-4-methylbenzonitrile Traditional Name: 3-fluoro-5-[(4-hydroxy-3,5-dimethyl-benzyl)amino]-4-methyl-benzonitrile Formula: C17H17FN2O MolecularWeight: 284.328083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=C(C(=CC(=C2)C#N)F)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=C(C(=CC(=C2)C#N)F)C

InChI

InChI=1S/C17H17FN2O/c1-10-4-14(5-11(2)17(10)21)9-20-16-7-13(8-19)6-15(18)12(16)3/h4-7,20-21H,9H2,1-3H3