Name: | 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-[4-[(2-CHLORO-4-FLUOROBENZYL)OXY]-3-METHOXYPHENYL]METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE |
CAS: | 478251-35-3 |
Synonyms: | 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-[4-[(2-CHLORO-4-FLUOROBENZYL)OXY]-3-METHOXYPHENYL]METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE |
MDL.: | MFCD03933434 |
H bond acceptor: | 13 |
H bond donor: | 2 |
Smile: | COc1cc(ccc1OCc2ccc(cc2Cl)F)/C=N/NC(=O)c3c(nnn3c4c(non4)N)CN5CCCC5 |
InChi: | InChI=1S/C25H25ClFN9O4/c1-38-21-10-15(4-7-20(21)39-14-16-5-6-17(27)11-18(16)26)12-29-31-25(37)22-19(13-35-8-2-3-9-35)30-34-36(22)24-23(28)32-40-33-24/h4-7,10-12H,2-3,8-9,13-14H2,1H3,(H2,28,32)(H,31,37)/b29-12+ |
InChiKey: | InChIKey=OHUMBUBOZWZQAD-XKJRVUDJSA-N |
1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-[4-[(2-CHLORO-4-FLUOROBENZYL)OXY]-3-METHOXYPHENYL]METHYLIDE
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