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

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-[(2-methylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-[(2-methylpiperazin-1-yl)methyl]benzamide CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-[(2-methyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-3-[(2-methylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-3-[(2-methylpiperazino)methyl]benzamide Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1CC2=CC=CC(=C2)C(=O)NC(CC(C)C)C(=O)NCC#N

Isomeric SMILES

CC1CNCCN1CC2=CC=CC(=C2)C(=O)NC(CC(C)C)C(=O)NCC#N

InChI

InChI=1S/C21H31N5O2/c1-15(2)11-19(21(28)24-8-7-22)25-20(27)18-6-4-5-17(12-18)14-26-10-9-23-13-16(26)3/h4-6,12,15-16,19,23H,8-11,13-14H2,1-3H3,(H,24,28)(H,25,27)