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

Systemtic Name: 1-[4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxypiperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[4-(3-chloro-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[[4-(3-chloro-2-fluoroanilino)-6-methoxy-7-quinazolinyl]oxy]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[4-(3-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[4-[4-(3-chloro-2-fluoro-anilino)-6-methoxy-quinazolin-7-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)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OC4CCN(CC4)C(=O)CO

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OC4CCN(CC4)C(=O)CO

InChI

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