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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(pyridin-4-ylmethylcarbamoylamino)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-(4-pyridylmethylcarbamoylamino)benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-(pyridin-4-ylmethylcarbamoylamino)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-(4-pyridylmethylcarbamoylamino)benzamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=NC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C22H26N6O3/c1-15(2)12-19(21(30)25-11-8-23)28-20(29)17-4-3-5-18(13-17)27-22(31)26-14-16-6-9-24-10-7-16/h3-7,9-10,13,15,19H,11-12,14H2,1-2H3,(H,25,30)(H,28,29)(H2,26,27,31)