N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(1H-1,2,4-triazol-5-ylcarbamoylamino)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(1H-1,2,4-triazol-5-ylcarbamoylamino)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(1H-1,2,4-triazol-5-ylcarbamoylamino)benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[oxo-(1H-1,2,4-triazol-5-ylamino)methyl]amino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(1H-1,2,4-triazol-5-ylcarbamoylamino)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(1H-1,2,4-triazol-5-ylcarbamoylamino)benzamide Formula: C18H22N8O3 MolecularWeight: 398.41908

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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=NC=NN2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC=NN2

InChI

InChI=1S/C18H22N8O3/c1-11(2)9-14(16(28)20-8-7-19)24-15(27)12-3-5-13(6-4-12)23-18(29)25-17-21-10-22-26-17/h3-6,10-11,14H,8-9H2,1-2H3,(H,20,28)(H,24,27)(H3,21,22,23,25,26,29)