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

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-ethylpiperazin-1-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-ethylpiperazin-1-yl)benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(4-ethyl-1-piperazinyl)benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-ethylpiperazin-1-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-ethylpiperazino)benzamide Formula: C22H31N5O2 MolecularWeight: 397.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

InChI

InChI=1S/C22H31N5O2/c1-2-26-14-16-27(17-15-26)19-8-6-18(7-9-19)20(28)25-22(10-4-3-5-11-22)21(29)24-13-12-23/h6-9H,2-5,10-11,13-17H2,1H3,(H,24,29)(H,25,28)