N-[2-[3,5-bis(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[3,5-bis(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[2-[3,5-bis(trifluoromethyl)phenyl]isoindolin-1-ylidene]-5-bromo-pyridine-3-carboxamide CAS Name: N-[2-[3,5-bis(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[2-[3,5-bis(trifluoromethyl)phenyl]-3H-isoindol-1-ylidene]-5-bromopyridine-3-carboxamide Traditional Name: N-[2-[3,5-bis(trifluoromethyl)phenyl]isoindolin-1-ylidene]-5-bromo-nicotinamide Formula: C22H12BrF6N3O MolecularWeight: 528.244599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)C3=CC(=CN=C3)Br)N1C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2C(=NC(=O)C3=CC(=CN=C3)Br)N1C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H12BrF6N3O/c23-16-5-13(9-30-10-16)20(33)31-19-18-4-2-1-3-12(18)11-32(19)17-7-14(21(24,25)26)6-15(8-17)22(27,28)29/h1-10H,11H2