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

Systemtic Name: N-[(1S,2R)-1-(5-bromanyl-2-cyano-phenoxy)-1-phenyl-propan-2-yl]-2-cyano-butanamide Openeye Name: N-[(1R,2S)-2-(5-bromo-2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-2-cyano-butanamide CAS Name: N-[(1S,2R)-1-(5-bromo-2-cyanophenoxy)-1-phenylpropan-2-yl]-2-cyanobutanamide IUPAC Name: N-[(1S,2R)-1-(5-bromo-2-cyanophenoxy)-1-phenylpropan-2-yl]-2-cyanobutanamide Traditional Name: N-[(1R,2S)-2-(5-bromo-2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-2-cyano-butyramide Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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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)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O2/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