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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[4-(2-morpholinoethyl)piperazin-1-yl]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[4-[2-(4-morpholinyl)ethyl]-1-piperazinyl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[4-(2-morpholinoethyl)piperazino]benzamide Formula: C25H38N6O3 MolecularWeight: 470.60762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCN3CCOCC3

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCN3CCOCC3

InChI

InChI=1S/C25H38N6O3/c1-20(2)19-23(25(33)27-8-7-26)28-24(32)21-3-5-22(6-4-21)31-13-11-29(12-14-31)9-10-30-15-17-34-18-16-30/h3-6,20,23H,8-19H2,1-2H3,(H,27,33)(H,28,32)