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

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(4-propyl-1-piperazinyl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazino)benzamide Formula: C23H33N5O2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3CCCCC3C(=O)NCC#N

Isomeric SMILES

CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)N[C@H]3CCCC[C@H]3C(=O)NCC#N

InChI

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