1-[3-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[3-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[3-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[3-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[3-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidino]-2-hydroxy-ethanone Formula: C22H22ClFN4O4 MolecularWeight: 460.885883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCCN(C4)C(=O)CO

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCCN(C4)C(=O)CO

InChI

InChI=1S/C22H22ClFN4O4/c1-31-18-9-17-14(8-19(18)32-13-4-3-7-28(10-13)20(30)11-29)22(26-12-25-17)27-16-6-2-5-15(23)21(16)24/h2,5-6,8-9,12-13,29H,3-4,7,10-11H2,1H3,(H,25,26,27)