| SpectraBase Spectrum ID |
G5WzEWcByxb |
| Name |
(E)-2-(Benzoylamino)-3-[3,5-dimethyl-1-(3-phenyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propenoic acid |
| Alternate Name(s) |
(2E)-2-(benzoylamino)-3-[3,5-dimethyl-1-(3-phenyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]-2-propenoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H21N7O3 |
| InChI |
InChI=1S/C26H21N7O3/c1-16-20(15-21(26(35)36)27-25(34)19-11-7-4-8-12-19)17(2)32(30-16)23-14-13-22-28-29-24(33(22)31-23)18-9-5-3-6-10-18/h3-15H,1-2H3,(H,27,34)(H,35,36)/b21-15+ |
| InChIKey |
HHYKCJDZMJLMPU-RCCKNPSSSA-N |
| Molecular Weight |
479.500 g/mol |
| SMILES |
N(\C(C(=O)O)=C\c1c([n](C2=N[n]3c(nnc3C=C2)-c2ccccc2)nc1C)C)C(=O)c1ccccc1 |
| SPLASH |
splash10-0a4i-0900000000-613045902bab3db8218f |
| Source of Spectrum |
F-55-276-4 |
| Wiley ID |
836464 |
![(E)-2-(Benzoylamino)-3-[3,5-dimethyl-1-(3-phenyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propenoic acid](/api/spectrum/G5WzEWcByxb/structure.png?h=300&w=458 "(E)-2-(Benzoylamino)-3-[3,5-dimethyl-1-(3-phenyl-1,2,4-triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl]propenoic acid")
