N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide

Systemtic Name: N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide Openeye Name: N-[5-(cyanomethylamino)-3-methyl-5-oxo-pentyl]-4-(4-pyridylmethylcarbamoylamino)benzamide CAS Name: N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]benzamide IUPAC Name: N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide Traditional Name: N-[5-(cyanomethylamino)-5-keto-3-methyl-pentyl]-4-(4-pyridylmethylcarbamoylamino)benzamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-16(14-20(29)25-13-9-23)6-12-26-21(30)18-2-4-19(5-3-18)28-22(31)27-15-17-7-10-24-11-8-17/h2-5,7-8,10-11,16H,6,12-15H2,1H3,(H,25,29)(H,26,30)(H2,27,28,31)