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

Systemtic Name: 1-[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]oxypiperidin-1-yl]ethanone Openeye Name: 1-[4-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]oxy-1-piperidyl]ethanone CAS Name: 1-[4-[[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]oxy]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]oxypiperidin-1-yl]ethanone Traditional Name: 1-[4-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]oxypiperidino]ethanone Formula: C21H20ClFN4O2 MolecularWeight: 414.860503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)OC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)OC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H20ClFN4O2/c1-13(28)27-8-6-15(7-9-27)29-16-3-5-20-17(11-16)21(25-12-24-20)26-14-2-4-19(23)18(22)10-14/h2-5,10-12,15H,6-9H2,1H3,(H,24,25,26)