basic_info |
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| Product_Name: | 2-BENZOYLAMINOMETHYLENE-4-PHENYL-1H-TETRAHYDRO-6-AZABENZO-1,5-DIAZEPIN E |
| CAS: | 87474-36-0 |
| EnglishSynonyms: | 2-BENZOYLAMINOMETHYLENE-4-PHENYL-1H-TETRAHYDRO-6-AZABENZO-1,5-DIAZEPIN E |
| pro_mdlNumber: | MFCD01667800 |
| pro_acceptors: | 5 |
| pro_donors: | 3 |
| pro_smile: | c1ccc(cc1)C2CC(Nc3cccnc3N2)CNC(=O)c4ccccc4 |
| InChi: | InChI=1S/C22H22N4O/c27-22(17-10-5-2-6-11-17)24-15-18-14-20(16-8-3-1-4-9-16)26-21-19(25-18)12-7-13-23-21/h1-13,18,20,25H,14-15H2,(H,23,26)(H,24,27) |
| InChiKey: | InChIKey=XJAGCMDWTWIOBB-UHFFFAOYSA-N |
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