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

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-imidazol-1-yl-benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-imidazol-1-yl-benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(1-imidazolyl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-imidazol-1-ylbenzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-imidazol-1-yl-benzamide Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C19H21N5O2/c20-9-10-22-19(26)16-3-1-2-4-17(16)23-18(25)14-5-7-15(8-6-14)24-12-11-21-13-24/h5-8,11-13,16-17H,1-4,10H2,(H,22,26)(H,23,25)/t16-,17+/m1/s1