2-bromanyl-N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-4-[[5-(hydroxymethyl)-2H-pyridin-1-yl]methyl]benzamide

Systemtic Name: 2-bromanyl-N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-4-[[5-(hydroxymethyl)-2H-pyridin-1-yl]methyl]benzamide Openeye Name: 2-bromo-N-[5-(cyanomethylamino)-3-methyl-5-oxo-pentyl]-4-[[5-(hydroxymethyl)-2H-pyridin-1-yl]methyl]benzamide CAS Name: 2-bromo-N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[[5-(hydroxymethyl)-2H-pyridin-1-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[[5-(hydroxymethyl)-2H-pyridin-1-yl]methyl]benzamide Traditional Name: 2-bromo-N-[5-(cyanomethylamino)-5-keto-3-methyl-pentyl]-4-[(5-methylol-2H-pyridin-1-yl)methyl]benzamide Formula: C22H27BrN4O3 MolecularWeight: 475.37878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=C(C=C(C=C1)CN2CC=CC(=C2)CO)Br)CC(=O)NCC#N

Isomeric SMILES

CC(CCNC(=O)C1=C(C=C(C=C1)CN2CC=CC(=C2)CO)Br)CC(=O)NCC#N

InChI

InChI=1S/C22H27BrN4O3/c1-16(11-21(29)25-9-7-24)6-8-26-22(30)19-5-4-17(12-20(19)23)13-27-10-2-3-18(14-27)15-28/h2-5,12,14,16,28H,6,8-11,13,15H2,1H3,(H,25,29)(H,26,30)