2-[[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxycyclohexyl]-(4-methylpiperazin-1-yl)amino]ethenone

Systemtic Name: 2-[[4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxycyclohexyl]-(4-methylpiperazin-1-yl)amino]ethenone Openeye Name: 2-[[4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxycyclohexyl]-(4-methylpiperazin-1-yl)amino]ethenone CAS Name: 2-[[4-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]cyclohexyl]-(4-methyl-1-piperazinyl)amino]ethenone IUPAC Name: 2-[[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-(4-methylpiperazin-1-yl)amino]ethenone Traditional Name: 2-[[4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxycyclohexyl]-(4-methylpiperazino)amino]ethenone Formula: C28H32ClFN6O3 MolecularWeight: 555.043483

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)N(C=C=O)C2CCC(CC2)OC3=C(C=C4C(=C3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl)OC

Isomeric SMILES

CN1CCN(CC1)N(C=C=O)C2CCC(CC2)OC3=C(C=C4C(=C3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl)OC

InChI

InChI=1S/C28H32ClFN6O3/c1-34-9-11-35(12-10-34)36(13-14-37)20-4-6-21(7-5-20)39-27-16-22-25(17-26(27)38-2)31-18-32-28(22)33-19-3-8-24(30)23(29)15-19/h3,8,13,15-18,20-21H,4-7,9-12H2,1-2H3,(H,31,32,33)