N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(3-pyridin-4-ylpropyl)benzamide

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(3-pyridin-4-ylpropyl)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-[3-(4-pyridyl)propyl]benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(3-pyridin-4-ylpropyl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(3-pyridin-4-ylpropyl)benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-[3-(4-pyridyl)propyl]benzamide Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)CCCC3=CC=NC=C3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)CCCC3=CC=NC=C3

InChI

InChI=1S/C24H28N4O2/c25-14-17-27-24(30)21-6-1-2-7-22(21)28-23(29)20-10-8-18(9-11-20)4-3-5-19-12-15-26-16-13-19/h8-13,15-16,21-22H,1-7,17H2,(H,27,30)(H,28,29)/t21-,22+/m1/s1