N-[4-[(3-bromanyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[4-[(3-bromanyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide Openeye Name: N-[4-(3-bromo-4-fluoro-anilino)-7-(3-morpholinopropoxy)quinazolin-6-yl]prop-2-enamide CAS Name: N-[4-(3-bromo-4-fluoroanilino)-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propenamide IUPAC Name: N-[4-(3-bromo-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide Traditional Name: N-[4-(3-bromo-4-fluoro-anilino)-7-(3-morpholinopropoxy)quinazolin-6-yl]acrylamide Formula: C24H25BrFN5O3 MolecularWeight: 530.389403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Br)OCCCN4CCOCC4

Isomeric SMILES

C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Br)OCCCN4CCOCC4

InChI

InChI=1S/C24H25BrFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)