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

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-pyrrol-1-yl-benzamide Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C20H22N4O2/c21-11-12-22-20(26)17-5-1-2-6-18(17)23-19(25)15-7-9-16(10-8-15)24-13-3-4-14-24/h3-4,7-10,13-14,17-18H,1-2,5-6,12H2,(H,22,26)(H,23,25)/t17-,18+/m1/s1