60162340 -OEChem-05042401442D 77 78 0 1 0 0 0 0 0999 V2000 13.6002 10.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4040 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.6002 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 7.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.7341 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 9.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1360 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 6.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0021 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 4.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7341 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5021 6.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1360 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 10.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7700 3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 11.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4050 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3915 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9462 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 9.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3915 8.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9462 6.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 7.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4696 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2666 3.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2711 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3821 7.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 6.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 6.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 6.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 6.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1920 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7934 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 1.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0800 1.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 1.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3070 3.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4600 3.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 3.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 10.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2711 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4651 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 12.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 34 1 0 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 7 40 1 0 0 0 0 7 76 1 0 0 0 0 8 41 1 0 0 0 0 8 77 1 0 0 0 0 9 40 2 0 0 0 0 10 41 2 0 0 0 0 15 11 1 1 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 19 1 0 0 0 0 12 22 1 0 0 0 0 12 54 1 0 0 0 0 13 20 1 0 0 0 0 13 25 1 0 0 0 0 13 27 1 0 0 0 0 14 26 1 0 0 0 0 14 28 1 0 0 0 0 14 61 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 1 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 27 32 1 0 0 0 0 27 33 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 29 34 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 33 70 1 0 0 0 0 35 37 1 0 0 0 0 35 71 1 0 0 0 0 36 37 2 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 38 74 1 0 0 0 0 39 41 1 0 0 0 0 39 75 1 0 0 0 0 M END > 60162340 > 1 > 850 > 11 > 4 > 7 > AAADcfB7uYAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABAAAAHwIQCAAADarBkDQyyIPAAgCIACXSWACCAAAhBwAIiIGIZsgIZDrB07HUMAhglgDI2YccAQAMAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-N-(3,3,3-trifluoro-1,1-dimethyl-propyl)piperidine-3-carboxamide;fumaric acid > (E)-2-butenedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-(4,4,4-trifluoro-2-methylbutan-2-yl)-3-piperidinecarboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(4,4,4-trifluoro-2-methylbutan-2-yl)piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]-N-[4,4,4-tris(fluoranyl)-2-methyl-butan-2-yl]piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]-N-(3,3,3-trifluoro-1,1-dimethyl-propyl)nipecotamide;fumaric acid > InChI=1S/C23H32ClF3N4O2.C4H4O4/c1-21(2,13-23(25,26)27)29-20(33)15-9-16(11-28-10-15)31-12-19(32)30(14-22(31,3)4)18-8-6-5-7-17(18)24;5-3(6)1-2-4(7)8/h5-8,15-16,28H,9-14H2,1-4H3,(H,29,33);1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,16+;/m0./s1 > GVSOMAQUSJDKMP-KAPCYLQESA-N > 604.2275471 > C27H36ClF3N4O6 > 605.0 > CC1(CN(C(=O)CN1C2CC(CNC2)C(=O)NC(C)(C)CC(F)(F)F)C3=CC=CC=C3Cl)C.C(=CC(=O)O)C(=O)O > CC1(CN(C(=O)CN1[C@@H]2C[C@@H](CNC2)C(=O)NC(C)(C)CC(F)(F)F)C3=CC=CC=C3Cl)C.C(=C/C(=O)O)\C(=O)O > 139 > 604.2275471 > 0 > 41 > 2 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 15 11 5 18 26 5 27 32 8 27 33 8 32 35 8 33 36 8 35 37 8 36 37 8 $$$$