N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 4-(4-benzylpiperazin-1-yl)-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 4-(4-benzylpiperazin-1-yl)-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide Traditional Name: 4-(4-benzylpiperazino)-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N5O2/c28-15-16-29-26(34)27(13-5-2-6-14-27)30-25(33)23-9-11-24(12-10-23)32-19-17-31(18-20-32)21-22-7-3-1-4-8-22/h1,3-4,7-12H,2,5-6,13-14,16-21H2,(H,29,34)(H,30,33)