6-[[[(3S,4S)-1-[2-[3,8-bis(fluoranyl)-6-methoxy-quinolin-4-yl]ethyl]-4-oxidanyl-pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

Systemtic Name: 6-[[[(3S,4S)-1-[2-[3,8-bis(fluoranyl)-6-methoxy-quinolin-4-yl]ethyl]-4-oxidanyl-pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one Openeye Name: 6-[[[(3S,4S)-1-[2-(3,8-difluoro-6-methoxy-4-quinolyl)ethyl]-4-hydroxy-pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one CAS Name: 6-[[[(3S,4S)-1-[2-(3,8-difluoro-6-methoxy-4-quinolinyl)ethyl]-4-hydroxy-3-pyrrolidinyl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one IUPAC Name: 6-[[[(3S,4S)-1-[2-(3,8-difluoro-6-methoxyquinolin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one Traditional Name: 6-[[[(3S,4S)-1-[2-(3,8-difluoro-6-methoxy-4-quinolyl)ethyl]-4-hydroxy-pyrrolidin-3-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one Formula: C25H27F2N5O4 MolecularWeight: 499.509786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(=C(C=N2)F)CCN3CC(C(C3)O)CNCC4=NC5=C(C=C4)OCC(=O)N5)F

Isomeric SMILES

COC1=CC(=C2C(=C1)C(=C(C=N2)F)CCN3C[C@@H]([C@@H](C3)O)CNCC4=NC5=C(C=C4)OCC(=O)N5)F

InChI

InChI=1S/C25H27F2N5O4/c1-35-16-6-18-17(20(27)10-29-24(18)19(26)7-16)4-5-32-11-14(21(33)12-32)8-28-9-15-2-3-22-25(30-15)31-23(34)13-36-22/h2-3,6-7,10,14,21,28,33H,4-5,8-9,11-13H2,1H3,(H,30,31,34)/t14-,21+/m0/s1