(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(oxolan-3-yloxy)quinazolin-6-yl]-4-(5,5-dimethyl-2-oxidanylidene-morpholin-4-yl)but-2-enamide

Systemtic Name: (E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(oxolan-3-yloxy)quinazolin-6-yl]-4-(5,5-dimethyl-2-oxidanylidene-morpholin-4-yl)but-2-enamide Openeye Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-tetrahydrofuran-3-yloxy-quinazolin-6-yl]-4-(5,5-dimethyl-2-oxo-morpholin-4-yl)but-2-enamide CAS Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-(3-oxolanyloxy)-6-quinazolinyl]-4-(5,5-dimethyl-2-oxo-4-morpholinyl)-2-butenamide IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-(oxolan-3-yloxy)quinazolin-6-yl]-4-(5,5-dimethyl-2-oxomorpholin-4-yl)but-2-enamide Traditional Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-tetrahydrofuran-3-yloxy-quinazolin-6-yl]-4-(2-keto-5,5-dimethyl-morpholino)but-2-enamide Formula: C28H29ClFN5O5 MolecularWeight: 570.011763

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)CN1CC=CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC5CCOC5)C

Isomeric SMILES

CC1(COC(=O)CN1C/C=C/C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC5CCOC5)C

InChI

InChI=1S/C28H29ClFN5O5/c1-28(2)15-39-26(37)13-35(28)8-3-4-25(36)34-23-11-19-22(12-24(23)40-18-7-9-38-14-18)31-16-32-27(19)33-17-5-6-21(30)20(29)10-17/h3-6,10-12,16,18H,7-9,13-15H2,1-2H3,(H,34,36)(H,31,32,33)/b4-3+