N-[1-(cyanomethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: N-[1-(cyanomethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-propyl]-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[1-(cyanomethylamino)-3-methyl-1-oxobutan-2-yl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-methyl-1-oxobutan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-propyl]-4-(4-methylpiperazino)benzamide Formula: C19H27N5O2 MolecularWeight: 357.44998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2/c1-14(2)17(19(26)21-9-8-20)22-18(25)15-4-6-16(7-5-15)24-12-10-23(3)11-13-24/h4-7,14,17H,9-13H2,1-3H3,(H,21,26)(H,22,25)