N-[3-ethanoyl-4-[2-(trifluoromethyl)quinazolin-4-yl]oxy-phenyl]butanamide

Systemtic Name: N-[3-ethanoyl-4-[2-(trifluoromethyl)quinazolin-4-yl]oxy-phenyl]butanamide Openeye Name: N-[3-acetyl-4-[2-(trifluoromethyl)quinazolin-4-yl]oxy-phenyl]butanamide CAS Name: N-[3-acetyl-4-[[2-(trifluoromethyl)-4-quinazolinyl]oxy]phenyl]butanamide IUPAC Name: N-[3-acetyl-4-[2-(trifluoromethyl)quinazolin-4-yl]oxyphenyl]butanamide Traditional Name: N-[3-acetyl-4-[2-(trifluoromethyl)quinazolin-4-yl]oxy-phenyl]butyramide Formula: C21H18F3N3O3 MolecularWeight: 417.38113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OC2=NC(=NC3=CC=CC=C32)C(F)(F)F)C(=O)C

InChI

InChI=1S/C21H18F3N3O3/c1-3-6-18(29)25-13-9-10-17(15(11-13)12(2)28)30-19-14-7-4-5-8-16(14)26-20(27-19)21(22,23)24/h4-5,7-11H,3,6H2,1-2H3,(H,25,29)