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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-(3-morpholin-4-ylpropylcarbamoylamino)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(3-morpholinopropylcarbamoylamino)benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[[[3-(4-morpholinyl)propylamino]-oxomethyl]amino]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(3-morpholin-4-ylpropylcarbamoylamino)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(3-morpholinopropylcarbamoylamino)benzamide Formula: C23H34N6O4 MolecularWeight: 458.55386

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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)NCCCN2CCOCC2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)NC(=O)NCCCN2CCOCC2

InChI

InChI=1S/C23H34N6O4/c1-17(2)16-20(22(31)25-10-8-24)28-21(30)18-4-6-19(7-5-18)27-23(32)26-9-3-11-29-12-14-33-15-13-29/h4-7,17,20H,3,9-16H2,1-2H3,(H,25,31)(H,28,30)(H2,26,27,32)