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

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-pyrazol-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=CC=N3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H21N5O2/c20-10-12-21-19(26)16-4-1-2-5-17(16)23-18(25)14-6-8-15(9-7-14)24-13-3-11-22-24/h3,6-9,11,13,16-17H,1-2,4-5,12H2,(H,21,26)(H,23,25)/t16-,17+/m1/s1