N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide

Systemtic Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-isopropylpiperazin-1-yl)benzamide CAS Name: N-[1-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(4-propan-2-yl-1-piperazinyl)benzamide IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-isopropylpiperazino)benzamide Formula: C23H33N5O2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

Isomeric SMILES

CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

InChI

InChI=1S/C23H33N5O2/c1-18(2)27-14-16-28(17-15-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9,18H,3-5,10-11,13-17H2,1-2H3,(H,25,30)(H,26,29)