24790407 -OEChem-04262421412D 61 66 0 1 0 0 0 0 0999 V2000 8.6285 -4.5819 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.8138 4.5819 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -0.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6552 2.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6859 -1.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5260 0.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7716 0.3948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 1.3430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2663 -1.1368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1536 0.3948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9626 -0.1930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4626 1.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4626 1.3458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1595 0.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2723 -1.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1536 -0.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5744 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0504 2.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 2.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 2.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8541 -1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6437 3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0449 2.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2315 3.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6327 2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4474 -2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8487 -1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 3.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0352 -3.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4364 -2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0297 -3.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8899 -0.4133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 2.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1812 1.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7892 -0.2792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 -1.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 -1.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 1.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3138 2.6518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 3.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 0.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 0.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 3.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 3.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5883 1.2703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 0.6780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 2.7959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 2.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0271 3.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2971 1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9793 4.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2493 2.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8308 -2.9241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1008 -1.2749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0530 -2.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3941 -4.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 33 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 19 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 37 1 6 0 0 0 11 16 1 0 0 0 0 11 17 1 6 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 6 0 0 0 13 20 1 1 0 0 0 13 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 20 27 2 0 0 0 0 20 28 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 33 2 0 0 0 0 29 56 1 0 0 0 0 30 33 1 0 0 0 0 30 57 1 0 0 0 0 31 34 1 0 0 0 0 31 58 1 0 0 0 0 32 35 2 0 0 0 0 32 59 1 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 M END > 24790407 > 1 > 965 > 4 > 0 > 3 > AAADceB7OAAEEAAAAAAAAAAAAAAAAWLFgAAwYMAAAAAWLAABQAAAHgJAAAABrarBmCQzwIMAAACIAiVSUACCAAAhBwQIiAGIZqiIYDrB07GUIAhohyLIyjcdi8CehAAAAAEAAAAIAAAAAgAAAAAAAAAAAA== > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-methyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-methyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-methyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-methyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-methyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone > (1S,2R,7S,8R)-4-(3-bromophenyl)-7-(4-chlorophenyl)-10-cyclohexyl-2-methyl-4,6,10-triazatricyclo[6.3.0.02,6]undecane-3,5,9,11-diquinone > InChI=1S/C27H25BrClN3O4/c1-27-21-20(23(33)30(24(21)34)18-7-3-2-4-8-18)22(15-10-12-17(29)13-11-15)32(27)26(36)31(25(27)35)19-9-5-6-16(28)14-19/h5-6,9-14,18,20-22H,2-4,7-8H2,1H3/t20-,21-,22-,27-/m1/s1 > UIFKHGUXZDWVGO-XAYSYOTPSA-N > 4.5 > 569.07170 > C27H25BrClN3O4 > 570.9 > CC12C3C(C(N1C(=O)N(C2=O)C4=CC(=CC=C4)Br)C5=CC=C(C=C5)Cl)C(=O)N(C3=O)C6CCCCC6 > C[C@]12[C@@H]3[C@H]([C@H](N1C(=O)N(C2=O)C4=CC(=CC=C4)Br)C5=CC=C(C=C5)Cl)C(=O)N(C3=O)C6CCCCC6 > 78 > 569.07170 > 0 > 36 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 37 6 11 17 6 12 38 6 13 20 5 20 27 8 20 28 8 26 31 8 26 32 8 27 29 8 28 30 8 29 33 8 30 33 8 31 34 8 32 35 8 34 36 8 35 36 8 $$$$