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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C

InChI

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