7-(1-oxidanidylpyridin-1-ium-2-yl)-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

Systemtic Name: 7-(1-oxidanidylpyridin-1-ium-2-yl)-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine Openeye Name: 7-(1-oxidopyridin-1-ium-2-yl)-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine CAS Name: 7-(1-oxido-2-pyridin-1-iumyl)-N-[4-(trifluoromethyl)phenyl]-4-quinazolinamine IUPAC Name: 7-(1-oxidopyridin-1-ium-2-yl)-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine Traditional Name: [7-(1-oxidopyridin-1-ium-2-yl)quinazolin-4-yl]-[4-(trifluoromethyl)phenyl]amine Formula: C20H13F3N4O MolecularWeight: 382.33863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C20H13F3N4O/c21-20(22,23)14-5-7-15(8-6-14)26-19-16-9-4-13(11-17(16)24-12-25-19)18-3-1-2-10-27(18)28/h1-12H,(H,24,25,26)