4-[4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxycyclohexyl]piperazin-2-one

Systemtic Name: 4-[4-[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxycyclohexyl]piperazin-2-one Openeye Name: 4-[4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxycyclohexyl]piperazin-2-one CAS Name: 4-[4-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]cyclohexyl]-2-piperazinone IUPAC Name: 4-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]piperazin-2-one Traditional Name: 4-[4-[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxycyclohexyl]piperazin-2-one Formula: C25H27ClFN5O3 MolecularWeight: 499.964983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCC(CC4)N5CCNC(=O)C5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC4CCC(CC4)N5CCNC(=O)C5

InChI

InChI=1S/C25H27ClFN5O3/c1-34-21-12-20-17(25(30-14-29-20)31-19-4-2-3-18(26)24(19)27)11-22(21)35-16-7-5-15(6-8-16)32-10-9-28-23(33)13-32/h2-4,11-12,14-16H,5-10,13H2,1H3,(H,28,33)(H,29,30,31)