| SpectraBase Spectrum ID |
FB5KEvuUu9u |
| Name |
2-[2'-(3"-phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one |
| Alternate Name(s) |
2-[2-[3-(trifluoromethyl)phenoxy]-4-pyrimidinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[2-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16F3N5O2 |
| InChI |
InChI=1S/C18H16F3N5O2/c19-18(20,21)12-5-4-6-13(11-12)28-16-22-9-8-14(23-16)26-17(27)25-10-3-1-2-7-15(25)24-26/h4-6,8-9,11H,1-3,7,10H2 |
| InChIKey |
VEGPUCOCLIWWHK-UHFFFAOYSA-N |
| Molecular Weight |
391.354 g/mol |
| SMILES |
C1(N(N=C2CCCCCN12)c1nc(Oc2cc(C(F)(F)F)ccc2)ncc1)=O |
| SPLASH |
splash10-000i-0091000000-3436d2f4f5052b92414d |
| Source of Spectrum |
AJ-43-1276-5 |
| Wiley ID |
1594308 |
![2-[2'-(3"-<Trifluoromethyl>phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one](/api/spectrum/FB5KEvuUu9u/structure.png?h=300&w=458 "2-[2'-(3\"-<Trifluoromethyl>phenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one")
