(1R,5R)-7-[4-[[3-[2-chloranyl-3,6-bis(fluoranyl)phenyl]-1,2-oxazol-5-yl]methoxy]phenyl]-N-[[2-chloranyl-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-3-ethanoyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Systemtic Name: (1R,5R)-7-[4-[[3-[2-chloranyl-3,6-bis(fluoranyl)phenyl]-1,2-oxazol-5-yl]methoxy]phenyl]-N-[[2-chloranyl-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-3-ethanoyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1R,5R)-3-acetyl-7-[4-[[3-(2-chloro-3,6-difluoro-phenyl)isoxazol-5-yl]methoxy]phenyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1R,5R)-3-acetyl-7-[4-[[3-(2-chloro-3,6-difluorophenyl)-5-isoxazolyl]methoxy]phenyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1R,5R)-3-acetyl-7-[4-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]-N-[[2-chloro-5-(2-methoxyethyl)phenyl]methyl]-N-cyclopropyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1R,5R)-3-acetyl-7-[4-[[3-(2-chloro-3,6-difluoro-phenyl)isoxazol-5-yl]methoxy]phenyl]-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C39H38Cl2F2N4O5 MolecularWeight: 751.645626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2CC(=C(C(C1)N2)C(=O)N(CC3=C(C=CC(=C3)CCOC)Cl)C4CC4)C5=CC=C(C=C5)OCC6=CC(=NO6)C7=C(C=CC(=C7Cl)F)F

Isomeric SMILES

CC(=O)N1C[C@H]2CC(=C([C@H](C1)N2)C(=O)N(CC3=C(C=CC(=C3)CCOC)Cl)C4CC4)C5=CC=C(C=C5)OCC6=CC(=NO6)C7=C(C=CC(=C7Cl)F)F

InChI

InChI=1S/C39H38Cl2F2N4O5/c1-22(48)46-19-26-16-30(24-4-8-28(9-5-24)51-21-29-17-34(45-52-29)37-32(42)11-12-33(43)38(37)41)36(35(20-46)44-26)39(49)47(27-6-7-27)18-25-15-23(13-14-50-2)3-10-31(25)40/h3-5,8-12,15,17,26-27,35,44H,6-7,13-14,16,18-21H2,1-2H3/t26-,35+/m1/s1