N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(1H-pyrazol-5-yl)benzamide

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(1H-pyrazol-5-yl)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(1H-pyrazol-5-yl)benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(1H-pyrazol-5-yl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(1H-pyrazol-5-yl)benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(1H-pyrazol-5-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)C3=CC=NN3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CC=NN3

InChI

InChI=1S/C19H21N5O2/c20-10-12-21-19(26)15-3-1-2-4-17(15)23-18(25)14-7-5-13(6-8-14)16-9-11-22-24-16/h5-9,11,15,17H,1-4,12H2,(H,21,26)(H,22,24)(H,23,25)/t15-,17+/m1/s1