N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)carbonyl-benzamide

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)carbonyl-benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazine-1-carbonyl)benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[(4-methyl-1-piperazinyl)-oxomethyl]benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazine-1-carbonyl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazine-1-carbonyl)benzamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

InChI

InChI=1S/C22H29N5O3/c1-26-13-15-27(16-14-26)20(29)18-7-5-17(6-8-18)19(28)25-22(9-3-2-4-10-22)21(30)24-12-11-23/h5-8H,2-4,9-10,12-16H2,1H3,(H,24,30)(H,25,28)