basic_info |
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| Product_Name: | 4-((2-(4-(HYDROXYMETHYL)PIPERIDINO)BENZYL)AMINO)-3-NITROBENZENECARBONITRILE |
| CAS: | 860611-01-4 |
| EnglishSynonyms: | 4-((2-(4-(HYDROXYMETHYL)PIPERIDINO)BENZYL)AMINO)-3-NITROBENZENECARBONITRILE |
| pro_mdlNumber: | MFCD03305418 |
| pro_acceptors: | 7 |
| pro_donors: | 2 |
| pro_smile: | c1ccc(c(c1)CNc2ccc(cc2[N+](=O)[O-])C#N)N3CCC(CC3)CO |
| InChi: | InChI=1S/C20H22N4O3/c21-12-16-5-6-18(20(11-16)24(26)27)22-13-17-3-1-2-4-19(17)23-9-7-15(14-25)8-10-23/h1-6,11,15,22,25H,7-10,13-14H2 |
| InChiKey: | InChIKey=XMJUINCFHKBDGS-UHFFFAOYSA-N |
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