5-[[4-[3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypropyl]piperazin-1-yl]methyl]oxolan-2-one

Systemtic Name: 5-[[4-[3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypropyl]piperazin-1-yl]methyl]oxolan-2-one Openeye Name: 5-[[4-[3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypropyl]piperazin-1-yl]methyl]tetrahydrofuran-2-one CAS Name: 5-[[4-[3-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]propyl]-1-piperazinyl]methyl]-2-oxolanone IUPAC Name: 5-[[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]methyl]oxolan-2-one Traditional Name: 5-[[4-[3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypropyl]piperazino]methyl]tetrahydrofuran-2-one Formula: C27H31ClFN5O4 MolecularWeight: 544.017543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCN(CC4)CC5CCC(=O)O5

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCN(CC4)CC5CCC(=O)O5

InChI

InChI=1S/C27H31ClFN5O4/c1-36-24-15-23-20(27(31-17-30-23)32-18-3-5-22(29)21(28)13-18)14-25(24)37-12-2-7-33-8-10-34(11-9-33)16-19-4-6-26(35)38-19/h3,5,13-15,17,19H,2,4,6-12,16H2,1H3,(H,30,31,32)