2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]-N-(cyanomethyl)-4-methyl-valeramide Formula: C21H22BrFN2O2 MolecularWeight: 433.313983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H22BrFN2O2/c1-14(2)13-19(21(26)25-12-11-24)27-20(15-3-7-17(22)8-4-15)16-5-9-18(23)10-6-16/h3-10,14,19-20H,12-13H2,1-2H3,(H,25,26)