11-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]-1,3,10-tris(oxidanyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]-1,3,10-tris(oxidanyl)-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one Openeye Name: 1,3,10-trihydroxy-11-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one CAS Name: 11-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-6-benzo[b][1,4]benzodiazepinone IUPAC Name: 11-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,3,10-trihydroxy-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one Traditional Name: 1,3,10-trihydroxy-11-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzo[b][1,4]benzodiazepin-6-one Formula: C31H33F7N2O4 MolecularWeight: 630.593542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCN1C2=CC(=CC(=C2N(C3=C(C1=O)C=CC=C3O)C(C(F)(F)F)(C(F)(F)F)F)O)O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CN1C2=CC(=CC(=C2N(C3=C(C1=O)C=CC=C3O)C(C(F)(F)F)(C(F)(F)F)F)O)O)/C)/C)C

InChI

InChI=1S/C31H33F7N2O4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-39-23-16-21(41)17-25(43)27(23)40(29(32,30(33,34)35)31(36,37)38)26-22(28(39)44)12-7-13-24(26)42/h7-8,10,12-14,16-17,41-43H,5-6,9,11,15H2,1-4H3/b19-10+,20-14+