| SpectraBase Spectrum ID |
CtXfh6vDZc7 |
| Name |
(4S,4'S)-Pentane-1,5-Diyl-Bis-(8-Ethynyl-6-(2-Fluorophenyl)-4-Methyl-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-Carboxylate) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C47H36F2N6O4 |
| InChI |
InChI=1S/C47H36F2N6O4/c1-5-30-18-20-38-34(24-30)40(32-14-8-10-16-36(32)48)52-28(3)44-42(50-26-54(38)44)46(56)58-22-12-7-13-23-59-47(57)43-45-29(4)53-41(33-15-9-11-17-37(33)49)35-25-31(6-2)19-21-39(35)55(45)27-51-43/h1-2,8-11,14-21,24-29H,7,12-13,22-23H2,3-4H3/t28-,29-/m0/s1 |
| InChIKey |
NHMWYEQQZKIZCT-VMPREFPWSA-N |
| Ionization Type |
EI |
| Molecular Weight |
786.840 g/mol |
| Reported Formula |
C47H36F2N6O4 |
| SMILES |
C(CCCOC(=O)c1nc[n]-2c1[C@@](N=C(c1c2ccc(C#C)c1)c1c(F)cccc1)(C)[H])COC(=O)c1nc[n]-2c1[C@@](N=C(c1c2ccc(C#C)c1)c1ccccc1F)(C)[H] |
| SPLASH |
splash10-0udi-0904200300-9113ce7108f892f66e7f |
| Source of Spectrum |
US2012295892A1 |
| Wiley ID |
1846704 |
![(4S,4'S)-Pentane-1,5-Diyl-Bis-(8-Ethynyl-6-(2-Fluorophenyl)-4-Methyl-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-Carboxylate)](/api/spectrum/CtXfh6vDZc7/structure.png?h=300&w=458 "(4S,4'S)-Pentane-1,5-Diyl-Bis-(8-Ethynyl-6-(2-Fluorophenyl)-4-Methyl-4H-Benzo-[f]-Imidazo-[1,5-a]-[1,4]-Diazepine-3-Carboxylate)")
