N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[[2-(1H-indol-3-yl)ethylamino]-oxomethyl]amino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzamide Formula: C26H30N6O3 MolecularWeight: 474.5548

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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=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C26H30N6O3/c1-17(2)15-23(25(34)28-14-12-27)32-24(33)18-7-9-20(10-8-18)31-26(35)29-13-11-19-16-30-22-6-4-3-5-21(19)22/h3-10,16-17,23,30H,11,13-15H2,1-2H3,(H,28,34)(H,32,33)(H2,29,31,35)