24792626 -OEChem-05102419382D 61 66 0 1 0 0 0 0 0999 V2000 8.0932 -4.5842 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 6.1506 -1.9500 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 2 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 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 5.6184 -0.7831 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 3.3669 1.6498 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 8.3189 -1.9481 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 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 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 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 5.2540 -0.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1168 -1.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9828 -1.2847 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 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 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 32 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 17 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 6 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 6 0 0 0 12 18 1 1 0 0 0 12 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 24 2 0 0 0 0 20 46 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 30 2 0 0 0 0 23 31 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 28 2 0 0 0 0 25 48 1 0 0 0 0 26 32 1 0 0 0 0 26 49 1 0 0 0 0 27 33 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 35 1 0 0 0 0 30 55 1 0 0 0 0 31 36 2 0 0 0 0 31 56 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 37 2 0 0 0 0 35 59 1 0 0 0 0 36 37 1 0 0 0 0 36 60 1 0 0 0 0 37 61 1 0 0 0 0 M END > 24792626 > 1 > 982 > 4 > 0 > 4 > AAADceB7OAAEAAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAWLAABUAAAHgIAAAAADarBmCQzwIMAAACIAiVSUACCAAAhBwAIiAGIZoiIYDrB07GUIAhohyLIyCcdi8CegAACAAIAAAAAAAQABAAAAAAAAAAAAA== > (1S,2R,7S,8R)-10-benzyl-4-(3-chlorophenyl)-2-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-chlorophenyl)-2-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-chlorophenyl)-2-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-chlorophenyl)-2-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-chlorophenyl)-2-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-chlorophenyl)-2-methyl-7-(m-tolyl)-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C29H24ClN3O4/c1-17-8-6-11-19(14-17)24-22-23(26(35)31(25(22)34)16-18-9-4-3-5-10-18)29(2)27(36)32(28(37)33(24)29)21-13-7-12-20(30)15-21/h3-15,22-24H,16H2,1-2H3/t22-,23-,24-,29-/m1/s1 > ZHMQVGOQZYNEMU-RWJVBYDYSA-N > 3.9 > 513.1455339 > C29H24ClN3O4 > 514.0 > CC1=CC(=CC=C1)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C5(N2C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C > 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)Cl)C > 78 > 513.1455339 > 0 > 37 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 38 6 11 39 6 12 18 5 18 20 8 18 22 8 20 24 8 21 26 8 21 27 8 22 25 8 23 30 8 23 31 8 24 28 8 25 28 8 26 32 8 27 33 8 30 35 8 31 36 8 32 34 8 33 34 8 35 37 8 36 37 8 9 16 6 $$$$