24792616 -OEChem-05062416512D 71 77 0 1 0 0 0 0 0999 V2000 8.0932 -4.5842 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 -4.4373 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0351 -0.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6342 -2.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1199 2.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9907 0.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 0.3925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3179 1.3407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7311 -1.1391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4274 -0.1953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6184 0.3925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9274 1.3435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9274 1.3435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6184 -0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7370 -1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1217 1.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0391 -0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5152 2.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2116 -1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3189 -1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5097 2.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1084 3.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7994 -2.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2172 -1.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0975 2.8570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 3.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9122 -2.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3134 -1.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6908 3.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3927 -3.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8104 -2.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0920 2.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 2.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 3.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3982 -3.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -3.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9012 -2.6526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4945 -3.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 4.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 4.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3547 -0.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1890 2.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5398 1.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4475 -0.1871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1002 -1.1733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2806 1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7619 1.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 3.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4160 -2.4409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8527 -1.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4441 4.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2956 -2.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5656 -1.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0552 4.2722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7571 -3.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1938 -2.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0272 2.1359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7086 2.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1568 3.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 2.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 3.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5178 -2.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8589 -4.0677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 4.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 5.1906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 38 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 6 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 45 1 6 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 46 1 6 0 0 0 13 19 1 1 0 0 0 13 47 1 0 0 0 0 14 20 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 30 2 0 0 0 0 22 31 1 0 0 0 0 23 28 2 0 0 0 0 23 52 1 0 0 0 0 24 29 1 0 0 0 0 24 53 1 0 0 0 0 25 33 1 0 0 0 0 25 54 1 0 0 0 0 26 34 2 0 0 0 0 26 55 1 0 0 0 0 27 36 2 0 0 0 0 27 37 1 0 0 0 0 28 32 1 0 0 0 0 28 35 1 0 0 0 0 29 32 2 0 0 0 0 29 56 1 0 0 0 0 30 39 1 0 0 0 0 30 57 1 0 0 0 0 31 40 2 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 38 2 0 0 0 0 33 60 1 0 0 0 0 34 38 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 42 1 0 0 0 0 36 65 1 0 0 0 0 37 43 2 0 0 0 0 37 66 1 0 0 0 0 39 41 2 0 0 0 0 40 41 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 42 44 2 0 0 0 0 42 69 1 0 0 0 0 43 44 1 0 0 0 0 43 70 1 0 0 0 0 44 71 1 0 0 0 0 M END > 24792616 > 1 > 1150 > 4 > 0 > 6 > AAADceB/OAAEEAAAAAAAAAAAAAAAAWLFgAAwYMGAAAAWLAABVAAAHgJAAAABrarBmCQzwIMAAACIAiVSUACCAAAhBwQIiAGIZqiIYDrB07GUIAhohyLIyjcdi8CehAACAAEAAAAIAAQAAgAAAAAAAAAAAA== > (1S,2R,7S,8R)-10-benzyl-4-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-7-(m-tolyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-7-(3-methylphenyl)-10-(phenylmethyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-benzyl-4-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-7-(3-methylphenyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-benzyl-4-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-7-(3-methylphenyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-2-[(4-chlorophenyl)methyl]-7-(3-methylphenyl)-10-(phenylmethyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-10-benzyl-4-(3-bromophenyl)-2-(4-chlorobenzyl)-7-(m-tolyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C35H27BrClN3O4/c1-21-7-5-10-24(17-21)30-28-29(32(42)38(31(28)41)20-23-8-3-2-4-9-23)35(19-22-13-15-26(37)16-14-22)33(43)39(34(44)40(30)35)27-12-6-11-25(36)18-27/h2-18,28-30H,19-20H2,1H3/t28-,29-,30-,35-/m1/s1 > MZOCLNAQILAZOI-UFEGOGPBSA-N > 6.2 > 667.08735 > C35H27BrClN3O4 > 669.0 > CC1=CC(=CC=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C5(N2C(=O)N(C5=O)C6=CC(=CC=C6)Br)CC7=CC=C(C=C7)Cl > CC1=CC(=CC=C1)[C@@H]2[C@H]3[C@H](C(=O)N(C3=O)CC4=CC=CC=C4)[C@]5(N2C(=O)N(C5=O)C6=CC(=CC=C6)Br)CC7=CC=C(C=C7)Cl > 78 > 667.08735 > 0 > 44 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 6 11 45 6 12 46 6 13 19 5 19 23 8 19 24 8 20 25 8 20 26 8 22 30 8 22 31 8 23 28 8 24 29 8 25 33 8 26 34 8 27 36 8 27 37 8 28 32 8 29 32 8 30 39 8 31 40 8 33 38 8 34 38 8 36 42 8 37 43 8 39 41 8 40 41 8 42 44 8 43 44 8 $$$$