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

Systemtic Name: 2-[(4-bromophenyl)-pyridin-2-yl-methoxy]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[(4-bromophenyl)-(2-pyridyl)methoxy]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[(4-bromophenyl)-(2-pyridinyl)methoxy]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[(4-bromophenyl)-pyridin-2-ylmethoxy]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[(4-bromophenyl)-(2-pyridyl)methoxy]-N-(cyanomethyl)-4-methyl-valeramide Formula: C20H22BrN3O2 MolecularWeight: 416.31158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)Br)C2=CC=CC=N2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)OC(C1=CC=C(C=C1)Br)C2=CC=CC=N2

InChI

InChI=1S/C20H22BrN3O2/c1-14(2)13-18(20(25)24-12-10-22)26-19(17-5-3-4-11-23-17)15-6-8-16(21)9-7-15/h3-9,11,14,18-19H,12-13H2,1-2H3,(H,24,25)