N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-[(4-methoxyphenyl)methylamino]benzamide

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-[(4-methoxyphenyl)methylamino]benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-[(4-methoxyphenyl)methylamino]benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-[(4-methoxyphenyl)methylamino]benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-[(4-methoxyphenyl)methylamino]benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(p-anisylamino)benzamide Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)NC3CCCCC3C(=O)NCC#N

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)N[C@H]3CCCC[C@H]3C(=O)NCC#N

InChI

InChI=1S/C24H28N4O3/c1-31-20-12-6-17(7-13-20)16-27-19-10-8-18(9-11-19)23(29)28-22-5-3-2-4-21(22)24(30)26-15-14-25/h6-13,21-22,27H,2-5,15-16H2,1H3,(H,26,30)(H,28,29)/t21-,22+/m1/s1