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

Systemtic Name: N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]benzamide Openeye Name: N-[5-(cyanomethylamino)-3-methyl-5-oxo-pentyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]benzamide CAS Name: N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[1-(4-methyl-1-piperazinyl)ethyl]benzamide IUPAC Name: N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]benzamide Traditional Name: N-[5-(cyanomethylamino)-5-keto-3-methyl-pentyl]-4-[1-(4-methylpiperazino)ethyl]benzamide Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O2/c1-17(16-21(28)24-11-9-23)8-10-25-22(29)20-6-4-19(5-7-20)18(2)27-14-12-26(3)13-15-27/h4-7,17-18H,8,10-16H2,1-3H3,(H,24,28)(H,25,29)