44263655 -OEChem-05062409562D 91 97 0 1 0 0 0 0 0999 V2000 15.5640 3.3842 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.6435 1.9722 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.1521 3.3047 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.6480 2.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 -1.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5897 -3.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6495 1.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9654 1.6611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 0.5437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1190 -1.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9411 0.8096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2962 0.9180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6028 -0.0775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9216 -0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3181 1.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3170 0.4722 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9313 -0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6564 2.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5567 -1.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 1.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6782 2.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3836 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5864 -1.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0867 -1.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0150 2.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2959 0.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -2.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4439 -2.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 2.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0735 -1.4329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8998 -2.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9622 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 0.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8089 -2.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6352 -3.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 2.6455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6074 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5863 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2526 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8990 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2315 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8779 0.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5442 0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8978 2.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0230 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5281 -0.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3848 -0.8756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1449 -0.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 0.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9530 0.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3249 -0.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2703 2.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 3.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1744 -1.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 3.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1524 3.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5001 -0.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 -1.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5174 -2.3696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5752 -1.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2015 0.0072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0659 -0.3077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8230 -0.0585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -2.9110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1528 -3.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9579 -3.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 3.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5665 -1.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7888 -0.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3277 -2.4676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5652 -3.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 0.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3810 -2.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1435 -1.5886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1422 -3.7602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9199 -3.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 3.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 1.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1350 0.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8374 2.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0803 1.8818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0587 2.6858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4859 -0.0610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0718 -0.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1511 0.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 48 1 0 0 0 0 2 48 1 0 0 0 0 3 48 1 0 0 0 0 4 22 2 0 0 0 0 5 24 2 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 35 2 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 9 15 1 0 0 0 0 9 31 1 0 0 0 0 9 66 1 0 0 0 0 10 24 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 41 1 0 0 0 0 11 85 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 6 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 1 0 0 0 13 49 1 0 0 0 0 14 18 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 22 1 0 0 0 0 17 28 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 23 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 59 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 25 29 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 30 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 31 1 0 0 0 0 27 32 2 0 0 0 0 28 35 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 29 30 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 31 36 2 0 0 0 0 32 39 1 0 0 0 0 32 73 1 0 0 0 0 33 37 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 38 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 36 40 1 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 40 2 0 0 0 0 39 83 1 0 0 0 0 40 84 1 0 0 0 0 41 42 1 0 0 0 0 41 86 1 0 0 0 0 41 87 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 88 1 0 0 0 0 44 46 2 0 0 0 0 44 89 1 0 0 0 0 45 47 2 0 0 0 0 45 48 1 0 0 0 0 46 47 1 0 0 0 0 46 90 1 0 0 0 0 47 91 1 0 0 0 0 M END > 44263655 > 1 > 1170 > 7 > 2 > 8 > AAADcfB/uYAAAAAAAAAAAAAAAAAAAeIAAAA8eLECAAAAAFix9AAAHwAQAAAADYjhnhYwwPPJlACoAyVyVACCgCAhAiAImaE4ZJgKYPrA0ZGXIAhglgDYyAcdi8CegAACAAACAAAAAAQAAAQAAAAAAAAAAA== > 2-[(1S,12bS)-12b-(2-cyclopentylethyl)-1-(morpholine-4-carbonyl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide > 2-[(1S,12bS)-12b-(2-cyclopentylethyl)-1-[4-morpholinyl(oxo)methyl]-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide > 2-[(1S,12bS)-12b-(2-cyclopentylethyl)-1-(morpholine-4-carbonyl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide > 2-[(1S,12bS)-12b-(2-cyclopentylethyl)-1-(morpholine-4-carbonyl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide > 2-[(1S,12bS)-12b-(2-cyclopentylethyl)-1-morpholin-4-ylcarbonyl-4-oxidanylidene-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamide > 2-[(1S,12bS)-12b-(2-cyclopentylethyl)-4-keto-1-(morpholine-4-carbonyl)-1,2,3,6,7,12-hexahydropyrido[2,1-a]beta-carbolin-3-yl]-N-[3-(trifluoromethyl)benzyl]acetamide > InChI=1S/C37H43F3N4O4/c38-37(39,40)27-9-5-8-25(20-27)23-41-32(45)22-26-21-30(35(47)43-16-18-48-19-17-43)36(14-12-24-6-1-2-7-24)33-29(13-15-44(36)34(26)46)28-10-3-4-11-31(28)42-33/h3-5,8-11,20,24,26,30,42H,1-2,6-7,12-19,21-23H2,(H,41,45)/t26?,30-,36+/m1/s1 > WSUHBEUCHJIHQF-MTMXIJGSSA-N > 5 > 664.32364035 > C37H43F3N4O4 > 664.8 > C1CCC(C1)CCC23C(CC(C(=O)N2CCC4=C3NC5=CC=CC=C45)CC(=O)NCC6=CC(=CC=C6)C(F)(F)F)C(=O)N7CCOCC7 > C1CCC(C1)CC[C@@]23[C@H](CC(C(=O)N2CCC4=C3NC5=CC=CC=C45)CC(=O)NCC6=CC(=CC=C6)C(F)(F)F)C(=O)N7CCOCC7 > 94.7 > 664.32364035 > 0 > 48 > 2 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 6 13 24 5 15 21 8 17 28 3 21 27 8 27 31 8 27 32 8 31 36 8 32 39 8 36 40 8 39 40 8 42 43 8 42 44 8 43 45 8 44 46 8 45 47 8 46 47 8 9 15 8 9 31 8 $$$$