| SpectraBase Spectrum ID |
I0okFLX9pD5 |
| Name |
N,N'-Diphenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-A]azepin-3-ylmethyl)urea |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.190260380 u |
| Formula |
C21H23N5O |
| InChI |
InChI=1S/C21H23N5O/c27-21(22-17-10-4-1-5-11-17)26(18-12-6-2-7-13-18)16-20-24-23-19-14-8-3-9-15-25(19)20/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,22,27) |
| InChIKey |
RWGRDYMWHDBVGB-UHFFFAOYSA-N |
| Molecular Weight |
361.449 g/mol |
| SMILES |
N(C(N(CC=1N2C(CCCCC2)=NN1)C1=CC=CC=C1)=O)C=1C=CC=CC1 |
![N,N'-diphenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea](/api/spectrum/I0okFLX9pD5/structure.png?h=300&w=458 "N,N'-diphenyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea")
