2-cyano-N-[(1S,2R)-1-(2-cyano-5-fluoranyl-phenoxy)-1-phenyl-propan-2-yl]-3-methyl-butanamide

Systemtic Name: 2-cyano-N-[(1S,2R)-1-(2-cyano-5-fluoranyl-phenoxy)-1-phenyl-propan-2-yl]-3-methyl-butanamide Openeye Name: 2-cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butanamide CAS Name: 2-cyano-N-[(1S,2R)-1-(2-cyano-5-fluorophenoxy)-1-phenylpropan-2-yl]-3-methylbutanamide IUPAC Name: 2-cyano-N-[(1S,2R)-1-(2-cyano-5-fluorophenoxy)-1-phenylpropan-2-yl]-3-methylbutanamide Traditional Name: 2-cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butyramide Formula: C22H22FN3O2 MolecularWeight: 379.427383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#N)C(=O)NC(C)C(C1=CC=CC=C1)OC2=C(C=CC(=C2)F)C#N

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)OC2=C(C=CC(=C2)F)C#N)NC(=O)C(C#N)C(C)C

InChI

InChI=1S/C22H22FN3O2/c1-14(2)19(13-25)22(27)26-15(3)21(16-7-5-4-6-8-16)28-20-11-18(23)10-9-17(20)12-24/h4-11,14-15,19,21H,1-3H3,(H,26,27)/t15-,19?,21-/m1/s1