N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[5-(cyanomethylamino)-3-methyl-5-oxo-pentyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide CAS Name: N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[5-(cyanomethylamino)-5-keto-3-methyl-pentyl]-4-[(4-methylpiperazino)methyl]benzamide Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O2/c1-17(15-20(27)23-10-8-22)7-9-24-21(28)19-5-3-18(4-6-19)16-26-13-11-25(2)12-14-26/h3-6,17H,7,9-16H2,1-2H3,(H,23,27)(H,24,28)