| SpectraBase Spectrum ID |
50WHms6SRpO |
| Name |
1-(4-Benzyl-piperazin-1-ylmethyl)-3-(3,4-dimethyl-phenylimino)-1,3-dihydro-indol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.241961601 u |
| Formula |
C28H30N4O |
| InChI |
InChI=1S/C28H30N4O/c1-21-12-13-24(18-22(21)2)29-27-25-10-6-7-11-26(25)32(28(27)33)20-31-16-14-30(15-17-31)19-23-8-4-3-5-9-23/h3-13,18H,14-17,19-20H2,1-2H3/b29-27- |
| InChIKey |
IAYXEBWTZVCVRH-OHYPFYFLSA-N |
| Molecular Weight |
438.575 g/mol |
| SMILES |
C1=CC=C(CN2CCN(CN3C(\C(=N/C4=CC(C)=C(C=C4)C)C=4C3=CC=CC4)=O)CC2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881357 |
