N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]amino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]benzamide Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC(=O)NCCC2=CN=CN2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC(=O)NCCC2=CN=CN2

InChI

InChI=1S/C21H27N7O3/c1-14(2)11-18(20(30)24-10-8-22)28-19(29)15-3-5-16(6-4-15)27-21(31)25-9-7-17-12-23-13-26-17/h3-6,12-14,18H,7,9-11H2,1-2H3,(H,23,26)(H,24,30)(H,28,29)(H2,25,27,31)