(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(oxolan-2-ylmethoxy)quinazolin-6-yl]-4-(2-methyl-6-oxidanylidene-morpholin-4-yl)but-2-enamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(=O)O1)CC=CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCC5CCCO5

Isomeric SMILES

CC1CN(CC(=O)O1)C/C=C/C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCC5CCCO5

InChI

InChI=1S/C28H29ClFN5O5/c1-17-13-35(14-27(37)40-17)8-2-5-26(36)34-24-11-20-23(12-25(24)39-15-19-4-3-9-38-19)31-16-32-28(20)33-18-6-7-22(30)21(29)10-18/h2,5-7,10-12,16-17,19H,3-4,8-9,13-15H2,1H3,(H,34,36)(H,31,32,33)/b5-2+