SpectraBase Spectrum ID |
ASff0yjJXmA |
Name |
(+)-cis-5-Butyl-2-phenyl-8-(trans-2-phenylcyclohexyloxy)-5,8-dihydro-[1,2,4]triazolo[1.2-a]pyridazine-1,3-dione |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C28H33N3O3 |
InChI |
InChI=1S/C28H33N3O3/c1-2-3-14-23-19-20-26(34-25-18-11-10-17-24(25)21-12-6-4-7-13-21)31-28(33)29(27(32)30(23)31)22-15-8-5-9-16-22/h4-9,12-13,15-16,19-20,23-26H,2-3,10-11,14,17-18H2,1H3/t23-,24+,25-,26+/m1/s1 |
InChIKey |
LMGZGNLFSALWRG-ZJSPYRCASA-N |
Molecular Weight |
459.590 g/mol |
SMILES |
C1(N2N(C(N1c1ccccc1)=O)[C@](CCCC)(C=C[C@@]2(O[C@]1([C@](c2ccccc2)(CCCC1)[H])[H])[H])[H])=O |
SPLASH |
splash10-0006-9210000000-b1f2c739f1a1551f27ea |
Source of Spectrum |
F-53-13443-8 |
Synonyms |
(5R,8S)-5-butyl-2-phenyl-8-{[(1R,2S)-2-phenylcyclohexyl]oxy}-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione |
Wiley ID |
803937 |