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

Systemtic Name: 2-cyano-N-[(1S,2R)-1-(2-cyano-5-fluoranyl-phenoxy)-1-phenyl-propan-2-yl]butanamide Openeye Name: 2-cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]butanamide CAS Name: 2-cyano-N-[(1S,2R)-1-(2-cyano-5-fluorophenoxy)-1-phenylpropan-2-yl]butanamide IUPAC Name: 2-cyano-N-[(1S,2R)-1-(2-cyano-5-fluorophenoxy)-1-phenylpropan-2-yl]butanamide Traditional Name: 2-cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]butyramide Formula: C21H20FN3O2 MolecularWeight: 365.400803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O2/c1-3-15(12-23)21(26)25-14(2)20(16-7-5-4-6-8-16)27-19-11-18(22)10-9-17(19)13-24/h4-11,14-15,20H,3H2,1-2H3,(H,25,26)/t14-,15?,20-/m1/s1