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

Systemtic Name: 1-[3-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]ethanone Openeye Name: 1-[3-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-1-piperidyl]ethanone CAS Name: 1-[3-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinyl]ethanone IUPAC Name: 1-[3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]ethanone Traditional Name: 1-[3-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidino]ethanone Formula: C22H22ClFN4O3 MolecularWeight: 444.886483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC

Isomeric SMILES

CC(=O)N1CCCC(C1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC

InChI

InChI=1S/C22H22ClFN4O3/c1-13(29)28-8-4-5-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-17-7-3-6-16(23)21(17)24/h3,6-7,9-10,12,14H,4-5,8,11H2,1-2H3,(H,25,26,27)