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

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(3-pyridin-4-ylpropoxy)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-[3-(4-pyridyl)propoxy]benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(3-pyridin-4-ylpropoxy)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(3-pyridin-4-ylpropoxy)benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-[3-(4-pyridyl)propoxy]benzamide Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)OCCCC3=CC=NC=C3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)OCCCC3=CC=NC=C3

InChI

InChI=1S/C24H28N4O3/c25-13-16-27-24(30)21-5-1-2-6-22(21)28-23(29)19-7-9-20(10-8-19)31-17-3-4-18-11-14-26-15-12-18/h7-12,14-15,21-22H,1-6,16-17H2,(H,27,30)(H,28,29)/t21-,22+/m1/s1