6-bromanyl-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(trifluoromethyl)quinazolin-4-amine

Systemtic Name: 6-bromanyl-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(trifluoromethyl)quinazolin-4-amine Openeye Name: 6-bromo-N-[4-(4-pyridylmethyl)phenyl]-2-(trifluoromethyl)quinazolin-4-amine CAS Name: 6-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(trifluoromethyl)-4-quinazolinamine IUPAC Name: 6-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(trifluoromethyl)quinazolin-4-amine Traditional Name: [6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-[4-(4-pyridylmethyl)phenyl]amine Formula: C21H14BrF3N4 MolecularWeight: 459.26187

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC3=NC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC3=NC(=NC4=C3C=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C21H14BrF3N4/c22-15-3-6-18-17(12-15)19(29-20(28-18)21(23,24)25)27-16-4-1-13(2-5-16)11-14-7-9-26-10-8-14/h1-10,12H,11H2,(H,27,28,29)