| SpectraBase Spectrum ID |
46PqGN1miNm |
| Name |
3-(3-Chlorophenyl)-1-(4-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylmethyl)urea |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21ClFN5O |
| InChI |
InChI=1S/C21H21ClFN5O/c22-15-5-4-6-17(13-15)24-21(29)28(18-10-8-16(23)9-11-18)14-20-26-25-19-7-2-1-3-12-27(19)20/h4-6,8-11,13H,1-3,7,12,14H2,(H,24,29) |
| InChIKey |
LIWFHCASZYTFLL-UHFFFAOYSA-N |
| Molecular Weight |
413.884 g/mol |
| SMILES |
N(C(N(Cc1[n]2c(CCCCC2)nn1)c1ccc(cc1)F)=O)c1cc(Cl)ccc1 |
| SPLASH |
splash10-114i-9840000000-6fa0fcbea450448c688e |
| Wiley ID |
1442976 |
![3-(3-Chlorophenyl)-1-(4-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylmethyl)urea](/api/spectrum/46PqGN1miNm/structure.png?h=300&w=458 "3-(3-Chlorophenyl)-1-(4-fluorophenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylmethyl)urea")
