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

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-hydroxyphenyl)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-hydroxyphenyl)benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(4-hydroxyphenyl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-hydroxyphenyl)benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-hydroxyphenyl)benzamide Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c23-13-14-24-22(28)19-3-1-2-4-20(19)25-21(27)17-7-5-15(6-8-17)16-9-11-18(26)12-10-16/h5-12,19-20,26H,1-4,14H2,(H,24,28)(H,25,27)/t19-,20+/m1/s1