N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(1H-imidazol-2-yl)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(1H-imidazol-2-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-(1H-imidazol-2-yl)benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-(1H-imidazol-2-yl)benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-(1H-imidazol-2-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-(1H-imidazol-2-yl)benzamide Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=CC(=C1)C2=NC=CN2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=CC(=C1)C2=NC=CN2

InChI

InChI=1S/C18H21N5O2/c1-12(2)10-15(18(25)22-7-6-19)23-17(24)14-5-3-4-13(11-14)16-20-8-9-21-16/h3-5,8-9,11-12,15H,7,10H2,1-2H3,(H,20,21)(H,22,25)(H,23,24)