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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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