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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(pyridin-3-ylcarbamoylamino)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-(3-pyridylcarbamoylamino)benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-[[oxo-(3-pyridinylamino)methyl]amino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-(pyridin-3-ylcarbamoylamino)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-(3-pyridylcarbamoylamino)benzamide Formula: C21H24N6O3 MolecularWeight: 408.45366

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)NC(=O)NC2=CN=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)NC(=O)NC2=CN=CC=C2

InChI

InChI=1S/C21H24N6O3/c1-14(2)11-18(20(29)24-10-8-22)27-19(28)15-5-3-6-16(12-15)25-21(30)26-17-7-4-9-23-13-17/h3-7,9,12-14,18H,10-11H2,1-2H3,(H,24,29)(H,27,28)(H2,25,26,30)