60162471 -OEChem-05072411352D 85 87 0 1 0 0 0 0 0999 V2000 14.9428 9.9750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6127 4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9428 8.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 6.9750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.0768 4.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 8.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4787 2.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 5.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3447 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3447 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3447 4.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0768 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3447 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6127 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0768 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4787 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3447 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8447 6.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0768 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1127 1.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1127 3.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 9.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0768 10.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3447 10.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0768 11.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3447 11.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 11.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1327 6.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 5.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 4.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6873 5.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2888 6.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1327 9.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 8.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8122 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6093 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2888 6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6873 7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6137 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3447 8.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7247 7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3447 6.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3078 6.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5347 6.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3816 6.2989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0156 2.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2791 2.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 2.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9587 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3572 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5757 1.2989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4227 1.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6496 1.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6496 3.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8026 3.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5757 3.0310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8025 2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2791 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 10.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6137 11.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 11.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 12.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 23 2 0 0 0 0 4 26 2 0 0 0 0 5 41 1 0 0 0 0 5 84 1 0 0 0 0 6 42 1 0 0 0 0 6 85 1 0 0 0 0 7 41 2 0 0 0 0 8 42 2 0 0 0 0 13 9 1 1 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 56 1 0 0 0 0 11 18 1 0 0 0 0 11 26 1 0 0 0 0 11 33 1 0 0 0 0 12 19 1 0 0 0 0 12 23 1 0 0 0 0 12 63 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 43 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 1 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 22 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 26 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 27 1 0 0 0 0 22 28 1 0 0 0 0 22 55 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 27 31 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 32 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 35 37 1 0 0 0 0 35 78 1 0 0 0 0 36 38 1 0 0 0 0 36 79 1 0 0 0 0 37 38 2 0 0 0 0 37 80 1 0 0 0 0 38 81 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 39 82 1 0 0 0 0 40 42 1 0 0 0 0 40 83 1 0 0 0 0 M END > 60162471 > 1 > 859 > 9 > 4 > 7 > AAADcfB7uAAEAAAAAAAAAAAAAAAAAAAAAAA8WJEAAAAAAAABAAAAHgIQCAAADarhkCYyyIPABgCIACXSWACCAAAhBwAIiIGIZsgIZDrB07HWMAhklgDI2Ye8AQAOgAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-N-(1-methyl-1-tetrahydropyran-4-yl-ethyl)piperidine-3-carboxamide;fumaric acid > (E)-2-butenedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-[2-(4-oxanyl)propan-2-yl]-3-piperidinecarboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[2-(oxan-4-yl)propan-2-yl]piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[2-(oxan-4-yl)propan-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-[2-(oxan-4-yl)propan-2-yl]piperidine-3-carboxamide > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]-N-(1-methyl-1-tetrahydropyran-4-yl-ethyl)nipecotamide;fumaric acid > InChI=1S/C26H39ClN4O3.C4H4O4/c1-25(2)17-30(22-8-6-5-7-21(22)27)23(32)16-31(25)20-13-18(14-28-15-20)24(33)29-26(3,4)19-9-11-34-12-10-19;5-3(6)1-2-4(7)8/h5-8,18-20,28H,9-17H2,1-4H3,(H,29,33);1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-,20+;/m0./s1 > AWVCOJJWHYZGTF-FBQZCPRFSA-N > 606.2820274 > C30H43ClN4O7 > 607.1 > CC1(CN(C(=O)CN1C2CC(CNC2)C(=O)NC(C)(C)C3CCOCC3)C4=CC=CC=C4Cl)C.C(=CC(=O)O)C(=O)O > CC1(CN(C(=O)CN1[C@@H]2C[C@@H](CNC2)C(=O)NC(C)(C)C3CCOCC3)C4=CC=CC=C4Cl)C.C(=C/C(=O)O)\C(=O)O > 149 > 606.2820274 > 0 > 42 > 2 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 16 23 5 33 34 8 33 35 8 34 36 8 35 37 8 36 38 8 37 38 8 13 9 5 $$$$