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

Systemtic Name: N-(cyanomethyl)-2-[2-(4-pyridin-4-ylphenyl)ethynyl]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-2-[2-[4-(4-pyridyl)phenyl]ethynyl]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-2-[2-(4-pyridin-4-ylphenyl)ethynyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-2-[2-(4-pyridin-4-ylphenyl)ethynyl]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-2-[2-[4-(4-pyridyl)phenyl]ethynyl]cyclohexanecarboxamide Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C#CC2=CC=C(C=C2)C3=CC=NC=C3)C(=O)NCC#N

Isomeric SMILES

C1CCC(C(C1)C#CC2=CC=C(C=C2)C3=CC=NC=C3)C(=O)NCC#N

InChI

InChI=1S/C22H21N3O/c23-13-16-25-22(26)21-4-2-1-3-20(21)10-7-17-5-8-18(9-6-17)19-11-14-24-15-12-19/h5-6,8-9,11-12,14-15,20-21H,1-4,16H2,(H,25,26)