| SpectraBase Spectrum ID |
1kc4d7CcGaR |
| Name |
N-[1-Benzyl-2-oxo-2-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-A][1,5]diazocin-3-yl)-ethyl]-benzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.205241738 u |
| Formula |
C27H27N3O3 |
| InChI |
InChI=1S/C27H27N3O3/c31-25-13-7-12-24-22-14-20(17-30(24)25)16-29(18-22)27(33)23(15-19-8-3-1-4-9-19)28-26(32)21-10-5-2-6-11-21/h1-13,20,22-23H,14-18H2,(H,28,32) |
| InChIKey |
OYGZCEWQCDMXEG-UHFFFAOYSA-N |
| Molecular Weight |
441.531 g/mol |
| SMILES |
C=12N(CC3CC2CN(C3)C(=O)C(NC(C2=CC=CC=C2)=O)CC=2C=CC=CC2)C(C=CC1)=O |
![N-[1-benzyl-2-oxo-2-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-a][1,5]diazocin-3-yl)-ethyl]-benzamide](/api/spectrum/1kc4d7CcGaR/structure.png?h=300&w=458 "N-[1-benzyl-2-oxo-2-(8-oxo-1,5,6,8-tetrahydro-2H,4H-1,5-methano-pyrido[1,2-a][1,5]diazocin-3-yl)-ethyl]-benzamide")
