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

Systemtic Name: N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-4-(4-methylpiperazin-1-yl)carbonyl-benzamide Openeye Name: N-[5-(cyanomethylamino)-3-methyl-5-oxo-pentyl]-4-(4-methylpiperazine-1-carbonyl)benzamide CAS Name: N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[(4-methyl-1-piperazinyl)-oxomethyl]benzamide IUPAC Name: N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-(4-methylpiperazine-1-carbonyl)benzamide Traditional Name: N-[5-(cyanomethylamino)-5-keto-3-methyl-pentyl]-4-(4-methylpiperazine-1-carbonyl)benzamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3/c1-16(15-19(27)23-10-8-22)7-9-24-20(28)17-3-5-18(6-4-17)21(29)26-13-11-25(2)12-14-26/h3-6,16H,7,9-15H2,1-2H3,(H,23,27)(H,24,28)