53300693 -OEChem-05181316302D 77 82 0 0 0 0 0 0 0999 V2000 4.3235 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6896 1.7320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6896 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 14.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9216 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0556 2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 10.9930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 13.9930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5578 15.5228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3879 8.4930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3879 6.4930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7821 5.9655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 12.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 12.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 12.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 11.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 11.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 9.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 14.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 14.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5637 15.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 9.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2745 14.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 16.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 8.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 9.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6067 15.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9173 16.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 7.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6558 9.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6558 8.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5219 7.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5219 6.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2539 7.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6558 6.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2539 6.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1478 8.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 6.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6558 5.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1478 6.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0539 8.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0539 6.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 6.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 4.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 5.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9180 6.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1896 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0556 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5947 13.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9797 13.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5812 12.3853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 12.3853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 13.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5812 11.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9797 10.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 10.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5344 11.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4472 10.1006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 9.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9239 16.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0819 13.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0884 16.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 8.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 10.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.9868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 16.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 7.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1928 9.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1407 9.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 7.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1928 5.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1407 5.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5897 8.3259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 6.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7898 4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3868 5.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4586 1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 47 1 0 0 0 0 2 47 1 0 0 0 0 3 47 1 0 0 0 0 4 20 2 0 0 0 0 5 48 1 0 0 0 0 5 77 1 0 0 0 0 6 48 2 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 60 1 0 0 0 0 10 32 2 0 0 0 0 10 34 1 0 0 0 0 11 33 2 0 0 0 0 11 36 1 0 0 0 0 12 46 3 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 49 1 0 0 0 0 14 16 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 22 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 61 1 0 0 0 0 24 28 1 0 0 0 0 24 62 1 0 0 0 0 25 29 1 0 0 0 0 25 63 1 0 0 0 0 26 30 2 0 0 0 0 26 64 1 0 0 0 0 27 28 2 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 29 31 2 0 0 0 0 29 67 1 0 0 0 0 30 31 1 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 2 0 0 0 0 37 69 1 0 0 0 0 38 43 1 0 0 0 0 38 70 1 0 0 0 0 39 44 2 0 0 0 0 39 71 1 0 0 0 0 40 42 2 0 0 0 0 40 72 1 0 0 0 0 41 42 1 0 0 0 0 41 73 1 0 0 0 0 42 46 1 0 0 0 0 43 45 2 0 0 0 0 43 74 1 0 0 0 0 44 45 1 0 0 0 0 44 75 1 0 0 0 0 45 76 1 0 0 0 0 47 48 1 0 0 0 0 M END > 53300693 > 1 > 1030 > 10 > 2 > 5 > AAADceB/sYAAAAAAAAAAAAAAAAAAAWAAAAA8eMGCAAAAAFix9AAAHwAQCAAADCjBnhQxyLPIEgC4ByTyXACigCQhEiAImCA4dJiI4OLA0ZGUIAholgLIyC8QgMAOSAAAQAAAACCQAACAAAAAQAAAAAAAAA== > 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]methyl]phenyl]-3-phenyl-quinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid > 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]methyl]phenyl]-3-phenyl-6-quinoxalinecarbonitrile;2,2,2-trifluoroacetic acid > 2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid > 2-[4-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-quinoxaline-6-carbonitrile;2,2,2-tris(fluoranyl)ethanoic acid > 2-[4-[[4-(2-keto-3H-benzimidazol-1-yl)piperidino]methyl]phenyl]-3-phenyl-quinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid > InChI=1S/C34H28N6O.C2HF3O2/c35-21-24-12-15-28-30(20-24)37-32(25-6-2-1-3-7-25)33(36-28)26-13-10-23(11-14-26)22-39-18-16-27(17-19-39)40-31-9-5-4-8-29(31)38-34(40)41;3-2(4,5)1(6)7/h1-15,20,27H,16-19,22H2,(H,38,41);(H,6,7) > TVLGJULGJAVCSQ-UHFFFAOYSA-N > 650.225323 > C36H29F3N6O3 > 650.64907 > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=C(C=C(C=C6)C#N)N=C5C7=CC=CC=C7.C(=O)(C(F)(F)F)O > C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=C(C=C(C=C6)C#N)N=C5C7=CC=CC=C7.C(=O)(C(F)(F)F)O > 122 > 650.225323 > 0 > 48 > 0 > 0 > 0 > 0 > 0 > 2 > 2 > 1 5 255 > 10 32 8 10 34 8 11 33 8 11 36 8 19 21 8 19 23 8 21 24 8 22 25 8 22 26 8 23 27 8 24 28 8 25 29 8 26 30 8 27 28 8 29 31 8 30 31 8 32 33 8 34 36 8 34 37 8 35 38 8 35 39 8 36 40 8 37 41 8 38 43 8 39 44 8 40 42 8 41 42 8 43 45 8 44 45 8 8 19 8 8 20 8 9 20 8 9 21 8 $$$$