SpectraBase Spectrum ID |
IEaQekLNESN |
Name |
(3aS,3bS)-2-Carbomethoxy-fluoro-3,3a,3b,4,5,6-hexahydropyrrolo[2,1-c]pyrazolo[1,5-a][1,4]benzodiazepin-8-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H17N3O3 |
InChI |
InChI=1S/C16H17N3O3/c1-22-16(21)11-9-14-13-7-4-8-18(13)15(20)10-5-2-3-6-12(10)19(14)17-11/h2-3,5-6,13-14H,4,7-9H2,1H3/t13-,14-/m0/s1 |
InChIKey |
VTPLZYMMYGMGNB-KBPBESRZSA-N |
Molecular Weight |
299.330 g/mol |
SMILES |
C1(=NN2[C@@](C1)([C@]1(N(CCC1)C(c1c2cccc1)=O)[H])[H])C(=O)OC |
SPLASH |
splash10-00dj-3970000000-8ff6a74cc07bf7b1bf19 |
Source of Spectrum |
F4-0-2251-8 |
Synonyms |
(3aS,3bS)-2-Carbomethoxy-3,3a,3b,4,5,6-hexahydropyrrolo[2,1-c][1,2,3]triazolo[1,5-a][1,4]benzodiazepin-8-one
Methyl (3aS,3bS)-8-oxo-3,3a,3b,4,5,6-hexahydro-8H-pyrazolo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-2-carboxylate |
Wiley ID |
1618487 |