| SpectraBase Spectrum ID |
BXcvTSH26oQ |
| Name |
N-{3'-[4""""-(4""""'-chlorophenyl)-1""""-piperazinyl]propyl}-1-benzylpyrrolidine-2 carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.234289398 u |
| Formula |
C25H33ClN4O |
| InChI |
InChI=1S/C25H33ClN4O/c26-22-9-11-23(12-10-22)29-18-16-28(17-19-29)14-5-13-27-25(31)24-8-4-15-30(24)20-21-6-2-1-3-7-21/h1-3,6-7,9-12,24H,4-5,8,13-20H2,(H,27,31) |
| InChIKey |
AAATUFZCHORORF-UHFFFAOYSA-N |
| Molecular Weight |
441.019 g/mol |
| SMILES |
C1(N(CCC1)CC=1C=CC=CC1)C(=O)NCCCN1CCN(CC1)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882383 |
![N-{3'-[4""""-(4""""'-chlorophenyl)-1""""-piperazinyl]propyl}-1-benzylpyrrolidine-2 carboxamide](/api/spectrum/BXcvTSH26oQ/structure.png?h=300&w=458 "N-{3'-[4\"\"\"\"-(4\"\"\"\"'-chlorophenyl)-1\"\"\"\"-piperazinyl]propyl}-1-benzylpyrrolidine-2 carboxamide")
