| SpectraBase Spectrum ID |
2bhwtgrRtv8 |
| Name |
2-[2'-(4"-Chlorophenoxy)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 |
C17H16ClN5O2 |
| InChI |
InChI=1S/C17H16ClN5O2/c18-12-5-7-13(8-6-12)25-16-19-10-9-14(20-16)23-17(24)22-11-3-1-2-4-15(22)21-23/h5-10H,1-4,11H2 |
| InChIKey |
YVQLNUDFBHACIO-UHFFFAOYSA-N |
| Molecular Weight |
357.801 g/mol |
| SMILES |
C1(N(N=C2CCCCCN12)c1nc(Oc2ccc(cc2)Cl)ncc1)=O |
| SPLASH |
splash10-0a4i-0092000000-03c8015418ca22ea75a7 |
| Source of Spectrum |
AJ-43-1276-5 |
| Synonyms |
2-[2-(4-chlorophenoxy)-4-pyrimidinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[2-(4-chlorophenoxy)pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one
2-[2-(4-chloranylphenoxy)pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Wiley ID |
1594311 |
![2-[2'-(4"-Chlorophenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one](/api/spectrum/2bhwtgrRtv8/structure.png?h=300&w=458 "2-[2'-(4\"-Chlorophenoxy)pyrimidin-4'-yl)-6,7,8,9-tetrahydro-2H-(1,2,4)-triazolo[4,3-a]azepin-3(5H)-one")
