56588057 -OEChem-04192420322D 81 86 0 0 0 0 0 0 0999 V2000 14.3846 7.6774 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.0186 6.3114 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.3846 5.9454 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9643 9.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6167 6.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7507 8.3114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 6.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 9.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2243 11.1588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 2.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5904 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5904 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7243 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5334 10.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9153 10.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2243 11.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8121 11.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1263 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1263 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8067 11.8633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4054 12.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2602 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3944 12.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9932 13.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9877 13.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2602 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1263 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1263 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 3.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7282 2.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8641 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8846 6.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7507 7.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2613 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2010 8.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8024 8.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6463 8.7026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2477 8.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8024 6.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2010 7.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2477 7.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6463 6.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9364 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3349 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1230 10.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8599 11.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3953 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5893 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 11.2969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7888 12.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0110 12.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7410 14.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3521 14.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 4.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 3.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5893 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6414 1.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1924 3.9529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3953 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9923 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3953 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1536 7.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 49 1 0 0 0 0 2 49 1 0 0 0 0 3 49 1 0 0 0 0 4 20 2 0 0 0 0 5 50 1 0 0 0 0 5 81 1 0 0 0 0 6 50 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 22 1 0 0 0 0 9 63 1 0 0 0 0 10 31 2 0 0 0 0 10 36 1 0 0 0 0 11 35 2 0 0 0 0 11 38 1 0 0 0 0 12 48 3 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 51 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 54 1 0 0 0 0 15 55 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 21 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 22 2 0 0 0 0 19 62 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 64 1 0 0 0 0 24 27 2 0 0 0 0 24 65 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 67 1 0 0 0 0 28 31 1 0 0 0 0 29 32 1 0 0 0 0 29 68 1 0 0 0 0 30 33 2 0 0 0 0 30 69 1 0 0 0 0 31 35 1 0 0 0 0 32 34 2 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 35 37 1 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 37 40 2 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 2 0 0 0 0 39 73 1 0 0 0 0 40 45 1 0 0 0 0 40 74 1 0 0 0 0 41 46 2 0 0 0 0 41 75 1 0 0 0 0 42 44 2 0 0 0 0 42 76 1 0 0 0 0 43 44 1 0 0 0 0 43 77 1 0 0 0 0 44 48 1 0 0 0 0 45 47 2 0 0 0 0 45 78 1 0 0 0 0 46 47 1 0 0 0 0 46 79 1 0 0 0 0 47 80 1 0 0 0 0 49 50 1 0 0 0 0 M END > 56588057 > 1 > 1110 > 10 > 2 > 6 > AAADceB/sYAAAAAAAAAAAAAAAAAAAQAAAAA8eMGCAAAAAACx9AAAHwAQCAAADCjBnhQxyLPIEgC4ByT2XACigCQhEiAImCA4dJiI4OLA0ZGUIAhohgLIyA8QgMAOSAAAQAAAACCQAACAAAAAQAAAAAAAAA== > 2-[4-[[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)-1-piperidyl]methyl]phenyl]-3-phenyl-quinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid > 2-[4-[[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)-1-piperidinyl]methyl]phenyl]-3-phenyl-6-quinoxalinecarbonitrile;2,2,2-trifluoroacetic acid > 2-[4-[[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid > 2-[4-[[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid > 2-[4-[[4-(2-oxidanylidene-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-quinoxaline-6-carbonitrile;2,2,2-tris(fluoranyl)ethanoic acid > 2-[4-[[4-(2-keto-4-phenyl-4-imidazolin-1-yl)piperidino]methyl]phenyl]-3-phenyl-quinoxaline-6-carbonitrile;2,2,2-trifluoroacetic acid > InChI=1S/C36H30N6O.C2HF3O2/c37-22-26-13-16-31-32(21-26)39-34(28-9-5-2-6-10-28)35(38-31)29-14-11-25(12-15-29)23-41-19-17-30(18-20-41)42-24-33(40-36(42)43)27-7-3-1-4-8-27;3-2(4,5)1(6)7/h1-16,21,24,30H,17-20,23H2,(H,40,43);(H,6,7) > JJCBMPHAQXYYDM-UHFFFAOYSA-N > 676.24097336 > C38H31F3N6O3 > 676.7 > C1CN(CCC1N2C=C(NC2=O)C3=CC=CC=C3)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(CCC1N2C=C(NC2=O)C3=CC=CC=C3)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 > 676.24097336 > 0 > 50 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 31 8 10 36 8 11 35 8 11 38 8 19 22 8 21 23 8 21 24 8 23 26 8 24 27 8 25 29 8 25 30 8 26 28 8 27 28 8 29 32 8 30 33 8 31 35 8 32 34 8 33 34 8 36 38 8 36 39 8 37 40 8 37 41 8 38 42 8 39 43 8 40 45 8 41 46 8 42 44 8 43 44 8 45 47 8 46 47 8 8 19 8 8 20 8 9 20 8 9 22 8 $$$$