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

Systemtic Name: 1-[4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-2-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-2-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-2-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-2-yl]-2-hydroxyethanone Traditional Name: 1-[4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-2-piperidyl]-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)OC4CCNC(C4)C(=O)CO

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCNC(C4)C(=O)CO

InChI

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