6-(3,3-dimethylbut-1-ynyl)-N-[5-(trifluoromethyl)pyridin-2-yl]pyridine-3-carboxamide

Systemtic Name: 6-(3,3-dimethylbut-1-ynyl)-N-[5-(trifluoromethyl)pyridin-2-yl]pyridine-3-carboxamide Openeye Name: 6-(3,3-dimethylbut-1-ynyl)-N-[5-(trifluoromethyl)-2-pyridyl]pyridine-3-carboxamide CAS Name: 6-(3,3-dimethylbut-1-ynyl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 6-(3,3-dimethylbut-1-ynyl)-N-[5-(trifluoromethyl)pyridin-2-yl]pyridine-3-carboxamide Traditional Name: 6-(3,3-dimethylbut-1-ynyl)-N-[5-(trifluoromethyl)-2-pyridyl]nicotinamide Formula: C18H16F3N3O MolecularWeight: 347.33435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=NC=C(C=C1)C(=O)NC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C#CC1=NC=C(C=C1)C(=O)NC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O/c1-17(2,3)9-8-14-6-4-12(10-22-14)16(25)24-15-7-5-13(11-23-15)18(19,20)21/h4-7,10-11H,1-3H3,(H,23,24,25)