N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholin-4-ylethoxy)benzamide

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholin-4-ylethoxy)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholinoethoxy)benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[2-(4-morpholinyl)ethoxy]benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholin-4-ylethoxy)benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-morpholinoethoxy)benzamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)OCCN3CCOCC3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)OCCN3CCOCC3

InChI

InChI=1S/C22H30N4O4/c23-9-10-24-22(28)19-3-1-2-4-20(19)25-21(27)17-5-7-18(8-6-17)30-16-13-26-11-14-29-15-12-26/h5-8,19-20H,1-4,10-16H2,(H,24,28)(H,25,27)/t19-,20+/m1/s1