5-isoquinolin-4-yl-2-oxidanylidene-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide

Systemtic Name: 5-isoquinolin-4-yl-2-oxidanylidene-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide Openeye Name: 5-(4-isoquinolyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide CAS Name: 5-(4-isoquinolinyl)-2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide IUPAC Name: 5-isoquinolin-4-yl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide Traditional Name: 5-(4-isoquinolyl)-2-keto-N-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide Formula: C22H14F3N3O2 MolecularWeight: 409.36067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2C3=CNC(=O)C(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2C3=CNC(=O)C(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H14F3N3O2/c23-22(24,25)15-5-3-6-16(9-15)28-21(30)18-8-14(11-27-20(18)29)19-12-26-10-13-4-1-2-7-17(13)19/h1-12H,(H,27,29)(H,28,30)