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

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

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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)NC2=CN=CC=C2

Isomeric SMILES

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

InChI

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