| SpectraBase Spectrum ID |
HdTH4BTLiOU |
| Name |
tert-Butyl 4-[2'-fluoro-5'-[(4''-oxo-3''H-phthalazin-1''-yl)methyl]benzoyl]piperazine-1-carboxylate |
| Appearance |
Orange solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H27FN4O4 |
| InChI |
InChI=1S/C25H27FN4O4/c1-25(2,3)34-24(33)30-12-10-29(11-13-30)23(32)19-14-16(8-9-20(19)26)15-21-17-6-4-5-7-18(17)22(31)28-27-21/h4-9,14H,10-13,15H2,1-3H3,(H,28,31) |
| InChIKey |
LDWYSPDHYSLKIG-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jmedchem.5b01324 |
| Molecular Weight |
466.513 g/mol |
| SMILES |
N1N=C(c2ccccc2C1=O)Cc1cc(c(cc1)F)C(=O)N1CCN(CC1)C(OC(C)(C)C)=O |
| SPLASH |
splash10-05o0-5494100000-adb767013d866cbbde43 |
| Source of Spectrum |
AF-58-SM6-18 |
| Wiley ID |
1867508 |
![tert-Butyl 4-[2'-fluoro-5'-[(4''-oxo-3''H-phthalazin-1''-yl)methyl]benzoyl]piperazine-1-carboxylate](/api/spectrum/HdTH4BTLiOU/structure.png?h=300&w=458 "tert-Butyl 4-[2'-fluoro-5'-[(4''-oxo-3''H-phthalazin-1''-yl)methyl]benzoyl]piperazine-1-carboxylate")
