4-[4-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-quinazoline-2-carboxamide

Systemtic Name: 4-[4-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-quinazoline-2-carboxamide Openeye Name: 4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-quinazoline-2-carboxamide CAS Name: 4-[4-[[[4-bromo-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenoxy]-N-methyl-2-quinazolinecarboxamide IUPAC Name: 4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylquinazoline-2-carboxamide Traditional Name: 4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-quinazoline-2-carboxamide Formula: C24H17BrF3N5O3 MolecularWeight: 560.32269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC2=CC=CC=C2C(=N1)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

CNC(=O)C1=NC2=CC=CC=C2C(=N1)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C24H17BrF3N5O3/c1-29-21(34)20-32-19-5-3-2-4-16(19)22(33-20)36-15-9-6-13(7-10-15)30-23(35)31-14-8-11-18(25)17(12-14)24(26,27)28/h2-12H,1H3,(H,29,34)(H2,30,31,35)