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

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-isopropylpiperazin-1-yl)benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(4-propan-2-yl-1-piperazinyl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide Traditional Name: N-[(1S,2R)-2-(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)NC3CCCCC3C(=O)NCC#N

Isomeric SMILES

CC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)N[C@H]3CCCC[C@H]3C(=O)NCC#N

InChI

InChI=1S/C23H33N5O2/c1-17(2)27-13-15-28(16-14-27)19-9-7-18(8-10-19)22(29)26-21-6-4-3-5-20(21)23(30)25-12-11-24/h7-10,17,20-21H,3-6,12-16H2,1-2H3,(H,25,30)(H,26,29)/t20-,21+/m1/s1