2-[2-(3-bromophenyl)ethynyl]-N-(cyanomethyl)cyclohexane-1-carboxamide

Systemtic Name: 2-[2-(3-bromophenyl)ethynyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Openeye Name: 2-[2-(3-bromophenyl)ethynyl]-N-(cyanomethyl)cyclohexanecarboxamide CAS Name: 2-[2-(3-bromophenyl)ethynyl]-N-(cyanomethyl)-1-cyclohexanecarboxamide IUPAC Name: 2-[2-(3-bromophenyl)ethynyl]-N-(cyanomethyl)cyclohexane-1-carboxamide Traditional Name: 2-[2-(3-bromophenyl)ethynyl]-N-(cyanomethyl)cyclohexanecarboxamide Formula: C17H17BrN2O MolecularWeight: 345.23368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O/c18-15-6-3-4-13(12-15)8-9-14-5-1-2-7-16(14)17(21)20-11-10-19/h3-4,6,12,14,16H,1-2,5,7,11H2,(H,20,21)