N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[(5-methylpyrazin-2-yl)methylcarbamoylamino]benzamide

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[(5-methylpyrazin-2-yl)methylcarbamoylamino]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[(5-methylpyrazin-2-yl)methylcarbamoylamino]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[[(5-methyl-2-pyrazinyl)methylamino]-oxomethyl]amino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[(5-methylpyrazin-2-yl)methylcarbamoylamino]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[(5-methylpyrazin-2-yl)methylcarbamoylamino]benzamide Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CNC(=O)NC2=CC=C(C=C2)C(=O)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1=CN=C(C=N1)CNC(=O)NC2=CC=C(C=C2)C(=O)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C22H27N7O3/c1-14(2)10-19(21(31)24-9-8-23)29-20(30)16-4-6-17(7-5-16)28-22(32)27-13-18-12-25-15(3)11-26-18/h4-7,11-12,14,19H,9-10,13H2,1-3H3,(H,24,31)(H,29,30)(H2,27,28,32)