(6aS)-3-[3-[[(6aS)-8,8-bis(fluoranyl)-2-methoxy-11-oxidanylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8,8-bis(fluoranyl)-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one

Systemtic Name: (6aS)-3-[3-[[(6aS)-8,8-bis(fluoranyl)-2-methoxy-11-oxidanylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8,8-bis(fluoranyl)-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one Openeye Name: (6aS)-3-[3-[[(6aS)-8,8-difluoro-2-methoxy-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8,8-difluoro-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one CAS Name: (6aS)-3-[3-[[(6aS)-8,8-difluoro-2-methoxy-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8,8-difluoro-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one IUPAC Name: (6aS)-3-[3-[[(6aS)-8,8-difluoro-2-methoxy-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8,8-difluoro-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one Traditional Name: (6aS)-3-[3-[[(6aS)-8,8-difluoro-11-keto-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8,8-difluoro-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one Formula: C29H28F4N4O6 MolecularWeight: 604.549433

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)(F)F)OCCCOC4=C(C=C5C(=C4)N=CC6CC(CN6C5=O)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N3CC(C[C@H]3C=N2)(F)F)OCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(CN6C5=O)(F)F)OC

InChI

InChI=1S/C29H28F4N4O6/c1-40-22-6-18-20(34-12-16-10-28(30,31)14-36(16)26(18)38)8-24(22)42-4-3-5-43-25-9-21-19(7-23(25)41-2)27(39)37-15-29(32,33)11-17(37)13-35-21/h6-9,12-13,16-17H,3-5,10-11,14-15H2,1-2H3/t16-,17-/m0/s1