| SpectraBase Spectrum ID |
Hat0l5bjcbc |
| Name |
2,7,7-Trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.182398293 u |
| Formula |
C25H27N3O2S |
| InChI |
InChI=1S/C25H27N3O2S/c1-15-21(24(30)28-20-7-5-6-12-26-20)22(16-8-10-17(31-4)11-9-16)23-18(27-15)13-25(2,3)14-19(23)29/h5-12,22,27H,13-14H2,1-4H3,(H,26,28,30) |
| InChIKey |
KOCLNSLPPORYAS-UHFFFAOYSA-N |
| Molecular Weight |
433.570 g/mol |
| SMILES |
N(C(C=1C(C=2C(CC(CC2NC1C)(C)C)=O)C=1C=CC(=CC1)SC)=O)C1=NC=CC=C1 |
![2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide](/api/spectrum/Hat0l5bjcbc/structure.png?h=300&w=458 "2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide")
