44601683 -OEChem-04242413342D 93 99 0 1 0 0 0 0 0999 V2000 2.0000 3.1865 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9957 2.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9362 -1.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9973 1.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 3.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 1.4570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8601 0.3395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4668 -1.9350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2889 0.6055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6004 1.8928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 0.7138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9506 -0.2816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9678 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2694 -0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6648 0.2680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0041 2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3352 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 1.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7314 -1.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6437 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3628 1.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 -2.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4213 -1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 2.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9830 -3.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1567 -2.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 -3.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 1.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -2.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9552 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -2.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 -2.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9341 1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2877 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5793 1.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9539 3.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2456 2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 0.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7326 -1.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2478 -0.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 -0.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0769 0.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 2.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0258 3.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 3.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5002 2.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5493 -0.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 0.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7187 -0.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4136 -0.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1707 -0.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6755 -2.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -3.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9143 -1.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1366 -1.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 3.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 -3.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2677 -4.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 -2.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4913 -1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 0.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0166 -3.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5568 -3.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 1.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5255 -2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 -0.2980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4828 0.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1852 1.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4281 1.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4416 -3.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 -1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 0.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4611 0.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9041 3.3297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7414 2.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3493 1.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1063 1.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1840 4.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4269 3.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6292 1.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7919 2.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 18 2 0 0 0 0 3 21 2 0 0 0 0 4 30 2 0 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 14 1 0 0 0 0 7 25 1 0 0 0 0 7 58 1 0 0 0 0 8 21 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 30 1 0 0 0 0 9 39 1 0 0 0 0 9 78 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 6 0 0 0 12 13 1 0 0 0 0 12 21 1 1 0 0 0 12 48 1 0 0 0 0 13 16 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 19 2 0 0 0 0 15 22 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 1 0 0 0 16 53 1 0 0 0 0 17 20 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 22 28 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 30 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 33 1 0 0 0 0 26 31 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 32 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 37 2 0 0 0 0 28 38 1 0 0 0 0 29 35 2 0 0 0 0 29 67 1 0 0 0 0 31 34 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 34 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 36 2 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 36 1 0 0 0 0 36 75 1 0 0 0 0 37 40 1 0 0 0 0 37 76 1 0 0 0 0 38 41 2 0 0 0 0 38 77 1 0 0 0 0 39 43 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 40 42 2 0 0 0 0 40 81 1 0 0 0 0 41 42 1 0 0 0 0 41 82 1 0 0 0 0 42 83 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 44 46 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 45 47 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 47 92 1 0 0 0 0 47 93 1 0 0 0 0 M END > 44601683 > 1 > 1110 > 5 > 2 > 9 > AAADcfB/uAAEAAAAAAAAAAAAAAAAAWAAAAA8eLFiAAAAAFix9AAAHgIQAAAADYrhniYwwPPJlACoAyVyVACCgCAhByAImaE4ZpgKYPrB05GXIAhglgDYyAcdi8CegABAIAACAAAAAIBAAAQAAAAAAAAAAA== > 2-[(1S,3R,12bS)-9-chloro-4-oxo-12b-(2-phenylethyl)-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-morpholinoethyl)acetamide > 2-[(1S,3R,12bS)-9-chloro-4-oxo-1-[oxo(1-piperidinyl)methyl]-12b-(2-phenylethyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[2-(4-morpholinyl)ethyl]acetamide > 2-[(1S,3R,12bS)-9-chloro-4-oxo-12b-(2-phenylethyl)-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide > 2-[(1S,3R,12bS)-9-chloro-4-oxo-12b-(2-phenylethyl)-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide > 2-[(1S,3R,12bS)-9-chloranyl-4-oxidanylidene-12b-(2-phenylethyl)-1-piperidin-1-ylcarbonyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-morpholin-4-ylethyl)ethanamide > 2-[(1S,3R,12bS)-9-chloro-4-keto-12b-phenethyl-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydropyrido[2,1-a]beta-carbolin-3-yl]-N-(2-morpholinoethyl)acetamide > InChI=1S/C37H46ClN5O4/c38-28-9-10-32-30(25-28)29-12-17-43-35(45)27(24-33(44)39-14-18-41-19-21-47-22-20-41)23-31(36(46)42-15-5-2-6-16-42)37(43,34(29)40-32)13-11-26-7-3-1-4-8-26/h1,3-4,7-10,25,27,31,40H,2,5-6,11-24H2,(H,39,44)/t27-,31-,37+/m1/s1 > WZZDUWGPEFSALC-REOUMGPISA-N > 3.5 > 659.3238327 > C37H46ClN5O4 > 660.2 > C1CCN(CC1)C(=O)C2CC(C(=O)N3C2(C4=C(CC3)C5=C(N4)C=CC(=C5)Cl)CCC6=CC=CC=C6)CC(=O)NCCN7CCOCC7 > C1CCN(CC1)C(=O)[C@H]2C[C@@H](C(=O)N3[C@@]2(C4=C(CC3)C5=C(N4)C=CC(=C5)Cl)CCC6=CC=CC=C6)CC(=O)NCCN7CCOCC7 > 98 > 659.3238327 > 0 > 47 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 6 12 21 5 14 19 8 16 23 5 19 24 8 24 25 8 24 29 8 25 33 8 28 37 8 28 38 8 29 35 8 33 36 8 35 36 8 37 40 8 38 41 8 40 42 8 41 42 8 7 14 8 7 25 8 $$$$