3-[2-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-(3-chloro-4-fluoroanilino)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-(3-chloro-4-fluoro-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C21H18ClFN4O MolecularWeight: 396.845223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)O

Isomeric SMILES

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)O

InChI

InChI=1S/C21H18ClFN4O/c22-17-11-15(3-4-18(17)23)27-20-16-10-14(2-5-19(16)25-13-26-20)6-8-21(28)7-1-9-24-12-21/h2-5,10-11,13,24,28H,1,7,9,12H2,(H,25,26,27)