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

Systemtic Name: N-[5-(cyanomethylamino)-3-methyl-5-oxidanylidene-pentyl]-3-(4-methylpiperazin-1-yl)carbonyl-benzamide Openeye Name: N-[5-(cyanomethylamino)-3-methyl-5-oxo-pentyl]-3-(4-methylpiperazine-1-carbonyl)benzamide CAS Name: N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-3-[(4-methyl-1-piperazinyl)-oxomethyl]benzamide IUPAC Name: N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-3-(4-methylpiperazine-1-carbonyl)benzamide Traditional Name: N-[5-(cyanomethylamino)-5-keto-3-methyl-pentyl]-3-(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=CC(=C1)C(=O)N2CCN(CC2)C)CC(=O)NCC#N

Isomeric SMILES

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

InChI

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