| SpectraBase Spectrum ID |
JOszhjdv8CB |
| Name |
2-[2'-(4"-phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23N5O4 |
| InChI |
InChI=1S/C21H23N5O4/c1-29-19(27)11-8-15-6-9-16(10-7-15)30-20-22-13-12-17(23-20)26-21(28)25-14-4-2-3-5-18(25)24-26/h6-7,9-10,12-13H,2-5,8,11,14H2,1H3 |
| InChIKey |
CZQMUFIVSRGNAP-UHFFFAOYSA-N |
| Molecular Weight |
409.446 g/mol |
| SMILES |
C1(N(N=C2CCCCCN12)c1nc(Oc2ccc(cc2)CCC(=O)OC)ncc1)=O |
| SPLASH |
splash10-004i-0009000000-5b5799c70c1be00e0bbd |
| Source of Spectrum |
AJ-43-1276-5 |
| Synonyms |
3-[4-[[4-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)-2-pyrimidinyl]oxy]phenyl]propanoic acid methyl ester
Methyl 3-[4-[4-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)pyrimidin-2-yl]oxyphenyl]propanoate
Methyl 3-[4-[4-(3-oxidanylidene-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)pyrimidin-2-yl]oxyphenyl]propanoate |
| Wiley ID |
1594304 |
![2-[2'-(4"-<Methoxycarbonyl-ethyl>phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one](/api/spectrum/JOszhjdv8CB/structure.png?h=300&w=458 "2-[2'-(4\"-<Methoxycarbonyl-ethyl>phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one")
