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

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(3-methylimidazol-4-yl)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(3-methylimidazol-4-yl)benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(3-methyl-4-imidazolyl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(3-methylimidazol-4-yl)benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(3-methylimidazol-4-yl)benzamide Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=CC=C(C=C2)C(=O)NC3CCCCC3C(=O)NCC#N

Isomeric SMILES

CN1C=NC=C1C2=CC=C(C=C2)C(=O)N[C@H]3CCCC[C@H]3C(=O)NCC#N

InChI

InChI=1S/C20H23N5O2/c1-25-13-22-12-18(25)14-6-8-15(9-7-14)19(26)24-17-5-3-2-4-16(17)20(27)23-11-10-21/h6-9,12-13,16-17H,2-5,11H2,1H3,(H,23,27)(H,24,26)/t16-,17+/m1/s1