2-[2-(4-bromophenyl)ethynyl]-N-(cyanomethyl)cyclohexane-1-carboxamide

Systemtic Name: 2-[2-(4-bromophenyl)ethynyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Openeye Name: 2-[2-(4-bromophenyl)ethynyl]-N-(cyanomethyl)cyclohexanecarboxamide CAS Name: 2-[2-(4-bromophenyl)ethynyl]-N-(cyanomethyl)-1-cyclohexanecarboxamide IUPAC Name: 2-[2-(4-bromophenyl)ethynyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Traditional Name: 2-[2-(4-bromophenyl)ethynyl]-N-(cyanomethyl)cyclohexanecarboxamide Formula: C17H17BrN2O MolecularWeight: 345.23368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C#CC2=CC=C(C=C2)Br)C(=O)NCC#N

Isomeric SMILES

C1CCC(C(C1)C#CC2=CC=C(C=C2)Br)C(=O)NCC#N

InChI

InChI=1S/C17H17BrN2O/c18-15-9-6-13(7-10-15)5-8-14-3-1-2-4-16(14)17(21)20-12-11-19/h6-7,9-10,14,16H,1-4,12H2,(H,20,21)