| SpectraBase Spectrum ID |
CD3JNcgJJGJ |
| Name |
2-({1-[(2E)-3-Phenyl-2-propenoyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.178692638 u |
| Formula |
C27H24N2O3 |
| InChI |
InChI=1S/C27H24N2O3/c30-24(13-12-19-6-2-1-3-7-19)28-16-14-20(15-17-28)18-29-26(31)22-10-4-8-21-9-5-11-23(25(21)22)27(29)32/h1-13,20H,14-18H2/b13-12+ |
| InChIKey |
IJXOVLGLLPMAAI-OUKQBFOZSA-N |
| Molecular Weight |
424.500 g/mol |
| SMILES |
C1=CC=C(\C=C\C(N2CCC(CN3C(C4=CC=CC5=C4C(C3=O)=CC=C5)=O)CC2)=O)C=C1 |
![2-({1-[(2E)-3-phenyl-2-propenoyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione](/api/spectrum/CD3JNcgJJGJ/structure.png?h=300&w=458 "2-({1-[(2E)-3-phenyl-2-propenoyl]-4-piperidinyl}methyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione")
