2-[(4-bromophenyl)-pyridin-3-yl-methoxy]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[(4-bromophenyl)-pyridin-3-yl-methoxy]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[(4-bromophenyl)-(3-pyridyl)methoxy]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[(4-bromophenyl)-(3-pyridinyl)methoxy]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[(4-bromophenyl)-pyridin-3-ylmethoxy]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[(4-bromophenyl)-(3-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=CN=CC=C2

Isomeric SMILES

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

InChI

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