N4-(1H-indazol-3-yl)-N2-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

Systemtic Name: N4-(1H-indazol-3-yl)-N2-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine Openeye Name: N4-(1H-indazol-3-yl)-N2-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine CAS Name: N4-(1H-indazol-3-yl)-N2-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine IUPAC Name: 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine Traditional Name: 1H-indazol-3-yl-[2-[2-(trifluoromethyl)anilino]quinazolin-4-yl]amine Formula: C22H15F3N6 MolecularWeight: 420.38991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN2)NC3=NC(=NC4=CC=CC=C43)NC5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN2)NC3=NC(=NC4=CC=CC=C43)NC5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C22H15F3N6/c23-22(24,25)15-9-3-6-12-18(15)27-21-26-16-10-4-1-7-13(16)19(29-21)28-20-14-8-2-5-11-17(14)30-31-20/h1-12H,(H3,26,27,28,29,30,31)