| SpectraBase Spectrum ID |
EP7rtW2xszV |
| Name |
Piperazine, 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(4-propoxybenzoyl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.221954430 u |
| Formula |
C25H29N5O4 |
| InChI |
InChI=1S/C25H29N5O4/c1-4-15-34-22-8-5-20(6-9-22)25(31)28-13-11-27(12-14-28)21-7-10-23(30(32)33)24(17-21)29-19(3)16-18(2)26-29/h5-10,16-17H,4,11-15H2,1-3H3 |
| InChIKey |
BWNJMMPNOBZBMA-UHFFFAOYSA-N |
| Molecular Weight |
463.538 g/mol |
| SMILES |
C=1(N2N=C(C=C2C)C)C=C(N2CCN(CC2)C(=O)C2=CC=C(C=C2)OCCC)C=CC1N(=O)=O |
![Piperazine, 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(4-propoxybenzoyl)-](/api/spectrum/EP7rtW2xszV/structure.png?h=300&w=458 "Piperazine, 1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-4-(4-propoxybenzoyl)-")
