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

Systemtic Name: 5-[4-[3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxypropyl]piperazin-1-yl]carbonyloxolan-2-one Openeye Name: 5-[4-[3-[4-(3-chloro-4-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-1-carbonyl]tetrahydrofuran-2-one CAS Name: 5-[[4-[3-[[4-(3-chloro-4-fluoroanilino)-6-methoxy-7-quinazolinyl]oxy]propyl]-1-piperazinyl]-oxomethyl]-2-oxolanone IUPAC Name: 5-[4-[3-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypropyl]piperazine-1-carbonyl]oxolan-2-one Traditional Name: 5-[4-[3-[4-(3-chloro-4-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxypropyl]piperazine-1-carbonyl]tetrahydrofuran-2-one Formula: C27H29ClFN5O5 MolecularWeight: 558.001063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCN(CC4)C(=O)C5CCC(=O)O5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCN(CC4)C(=O)C5CCC(=O)O5

InChI

InChI=1S/C27H29ClFN5O5/c1-37-23-14-18-21(30-16-31-26(18)32-17-3-4-20(29)19(28)13-17)15-24(23)38-12-2-7-33-8-10-34(11-9-33)27(36)22-5-6-25(35)39-22/h3-4,13-16,22H,2,5-12H2,1H3,(H,30,31,32)