N-[4-prop-1-ynyl-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Systemtic Name: N-[4-prop-1-ynyl-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Openeye Name: N-[4-prop-1-ynyl-3-(trifluoromethyl)phenyl]-2-(4-pyridylmethylamino)pyridine-3-carboxamide CAS Name: N-[4-prop-1-ynyl-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)-3-pyridinecarboxamide IUPAC Name: N-[4-prop-1-ynyl-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide Traditional Name: N-[4-prop-1-ynyl-3-(trifluoromethyl)phenyl]-2-(4-pyridylmethylamino)nicotinamide Formula: C22H17F3N4O MolecularWeight: 410.39179

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

CC#CC1=C(C=C(C=C1)NC(=O)C2=C(N=CC=C2)NCC3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C22H17F3N4O/c1-2-4-16-6-7-17(13-19(16)22(23,24)25)29-21(30)18-5-3-10-27-20(18)28-14-15-8-11-26-12-9-15/h3,5-13H,14H2,1H3,(H,27,28)(H,29,30)