70697702 -OEChem-05132410592D 68 72 0 0 0 0 0 0 0999 V2000 9.5060 -3.7567 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 -6.2567 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5419 -6.6227 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5419 -4.8907 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5778 0.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3406 3.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0419 -2.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0419 -0.7567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 0.2433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 1.7433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6348 2.3311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7739 -2.7567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9438 3.2821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0419 0.2433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 -0.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 -1.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 0.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5316 4.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 -2.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 3.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2528 2.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 4.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 4.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7126 5.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 4.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1139 4.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 5.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7739 -3.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3004 6.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7017 5.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 6.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2949 6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 5.8545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 -4.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6400 -4.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9079 -5.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6400 -5.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7739 -5.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0419 -5.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6524 0.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2539 0.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 -1.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 -1.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 1.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 1.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6992 -0.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0978 -1.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5185 -1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1200 -0.6741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 2.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3109 -2.4467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 5.8785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7442 3.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3661 4.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 5.9256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9070 3.7555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0482 7.1891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 4.6078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3183 5.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0829 6.8778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6594 7.0198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6029 6.2189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 -3.9467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1769 -5.5667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7739 -6.3767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 42 1 0 0 0 0 3 42 1 0 0 0 0 4 42 1 0 0 0 0 5 19 2 0 0 0 0 6 20 1 0 0 0 0 6 59 1 0 0 0 0 7 21 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 12 21 1 0 0 0 0 12 30 1 0 0 0 0 12 54 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 17 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 22 23 2 0 0 0 0 23 53 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 31 1 0 0 0 0 26 55 1 0 0 0 0 27 32 1 0 0 0 0 27 56 1 0 0 0 0 28 33 2 0 0 0 0 28 57 1 0 0 0 0 29 34 2 0 0 0 0 29 58 1 0 0 0 0 30 37 1 0 0 0 0 30 38 2 0 0 0 0 31 35 2 0 0 0 0 31 60 1 0 0 0 0 32 36 2 0 0 0 0 32 61 1 0 0 0 0 33 35 1 0 0 0 0 33 62 1 0 0 0 0 34 36 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 37 39 2 0 0 0 0 37 66 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 40 41 2 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 M END > 70697702 > 1 > 907 > 9 > 2 > 6 > AAADceB7sYAEAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAAAB1AAAHwIYCAAADE7BnjQ9wJPIAgCqAzV3VASCBAQxlwAemAC4foiKZiLBk7HUcAhu1gPI2CeQwOAOhAAAQAAAABAIAACAAAAAIAAAAAAAAA== > N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[4-[hydroxy(diphenyl)methyl]triazole-1-carbonyl]piperazin-1-yl]acetamide > N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[[4-[hydroxy(diphenyl)methyl]-1-triazolyl]-oxomethyl]-1-piperazinyl]acetamide > N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[4-[hydroxy(diphenyl)methyl]triazole-1-carbonyl]piperazin-1-yl]acetamide > N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[4-[hydroxy(diphenyl)methyl]triazole-1-carbonyl]piperazin-1-yl]acetamide > N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-[4-[[4-[oxidanyl(diphenyl)methyl]-1,2,3-triazol-1-yl]carbonyl]piperazin-1-yl]ethanamide > N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[4-[hydroxy(diphenyl)methyl]triazole-1-carbonyl]piperazino]acetamide > InChI=1S/C29H26ClF3N6O3/c30-23-12-11-22(29(31,32)33)17-24(23)34-26(40)19-37-13-15-38(16-14-37)27(41)39-18-25(35-36-39)28(42,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17-18,42H,13-16,19H2,(H,34,40) > KIKXJTBLKZHEPS-UHFFFAOYSA-N > 4.1 > 598.1707009 > C29H26ClF3N6O3 > 599.0 > C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)N3C=C(N=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O > C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)N3C=C(N=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O > 104 > 598.1707009 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 23 8 11 13 8 13 22 8 22 23 8 24 26 8 24 28 8 25 27 8 25 29 8 26 31 8 27 32 8 28 33 8 29 34 8 30 37 8 30 38 8 31 35 8 32 36 8 33 35 8 34 36 8 37 39 8 38 40 8 39 41 8 40 41 8 $$$$