46903166 -OEChem-03292402202D 61 64 0 1 0 0 0 0 0999 V2000 8.9282 -3.1374 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 6.1374 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 1.9503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.9014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -1.1374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 3.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 4.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 3.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8669 5.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2682 4.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8614 5.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.5548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9967 1.7587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -2.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -4.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -6.2201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -5.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -6.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 4.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9326 3.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 5.9994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8848 4.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 33 1 0 0 0 0 12 3 1 6 0 0 0 3 43 1 0 0 0 0 4 15 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 9 6 1 1 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 6 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 2 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 19 24 2 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 27 1 0 0 0 0 22 26 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 31 33 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 M END > 46903166 > 1 > 628 > 5 > 1 > 7 > AAADceB7sQAEAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHwIICAAADD7hni4+gJMIAgCqAzV3VACCBAQxlwAY2CE4dpgKcLLB0xGUYAhkhgDYyAe4yPAOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA== > 1-[(2R,4S,5S)-2-(4-chlorophenyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxy-1-piperidyl]hexan-1-one > 1-[(2R,4S,5S)-2-(4-chlorophenyl)-4-[4-(4-fluorophenyl)-1-triazolyl]-5-hydroxy-1-piperidinyl]-1-hexanone > 1-[(2R,4S,5S)-2-(4-chlorophenyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxypiperidin-1-yl]hexan-1-one > 1-[(2R,4S,5S)-2-(4-chlorophenyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxypiperidin-1-yl]hexan-1-one > 1-[(2R,4S,5S)-2-(4-chlorophenyl)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-5-oxidanyl-piperidin-1-yl]hexan-1-one > 1-[(2R,4S,5S)-2-(4-chlorophenyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxy-piperidino]hexan-1-one > InChI=1S/C25H28ClFN4O2/c1-2-3-4-5-25(33)30-16-24(32)23(14-22(30)18-6-10-19(26)11-7-18)31-15-21(28-29-31)17-8-12-20(27)13-9-17/h6-13,15,22-24,32H,2-5,14,16H2,1H3/t22-,23+,24+/m1/s1 > WRDMYFOYCSBXJG-SGNDLWITSA-N > 4.5 > 470.1884820 > C25H28ClFN4O2 > 471.0 > CCCCCC(=O)N1CC(C(CC1C2=CC=C(C=C2)Cl)N3C=C(N=N3)C4=CC=C(C=C4)F)O > CCCCCC(=O)N1C[C@@H]([C@H](C[C@@H]1C2=CC=C(C=C2)Cl)N3C=C(N=N3)C4=CC=C(C=C4)F)O > 71.2 > 470.1884820 > 0 > 33 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 6 14 18 8 14 19 8 17 21 8 18 23 8 19 24 8 23 25 8 24 25 8 27 29 8 27 30 8 29 31 8 12 3 6 30 32 8 31 33 8 32 33 8 6 17 8 6 7 8 9 6 5 7 8 8 8 21 8 $$$$