18-fluoranyl-3-[1-oxidanyl-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-15-oxa-4,10-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-5,9-dione

Systemtic Name: 18-fluoranyl-3-[1-oxidanyl-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-15-oxa-4,10-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-5,9-dione Openeye Name: 18-fluoro-3-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-15-oxa-4,10-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-5,9-dione CAS Name: 18-fluoro-3-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-15-oxa-4,10-diazabicyclo[14.3.1]eicosa-1(20),16,18-triene-5,9-dione IUPAC Name: 18-fluoro-3-[1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]-15-oxa-4,10-diazabicyclo[14.3.1]icosa-1(20),16,18-triene-5,9-dione Traditional Name: 18-fluoro-3-[1-hydroxy-2-[[3-(trifluoromethyl)benzyl]amino]ethyl]-15-oxa-4,10-diazabicyclo[14.3.1]eicosa-1(20),16,18-triene-5,9-quinone Formula: C27H33F4N3O4 MolecularWeight: 539.562233

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC2=CC(=CC(=C2)CC(NC(=O)CCCC(=O)NC1)C(CNCC3=CC(=CC=C3)C(F)(F)F)O)F

Isomeric SMILES

C1CCOC2=CC(=CC(=C2)CC(NC(=O)CCCC(=O)NC1)C(CNCC3=CC(=CC=C3)C(F)(F)F)O)F

InChI

InChI=1S/C27H33F4N3O4/c28-21-12-19-13-22(15-21)38-10-2-1-9-33-25(36)7-4-8-26(37)34-23(14-19)24(35)17-32-16-18-5-3-6-20(11-18)27(29,30)31/h3,5-6,11-13,15,23-24,32,35H,1-2,4,7-10,14,16-17H2,(H,33,36)(H,34,37)