60158525 -OEChem-05082418432D 79 85 0 1 0 0 0 0 0999 V2000 5.2730 4.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 0.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1325 -2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8849 0.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 -4.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 3.1209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5298 2.1209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 0.0821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2049 1.0331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.6209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4836 -0.7270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 3.6209 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3958 1.6209 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2619 3.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3798 4.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 2.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1719 3.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 1.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2778 5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1799 4.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 3.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 1.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3081 -0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7148 -1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4782 -0.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1270 -2.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7093 -1.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5338 -3.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0659 -1.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1161 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5283 -3.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0605 -1.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6592 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 -3.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6483 -2.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2470 -3.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2415 -3.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3472 -5.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9304 3.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1618 5.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7706 4.5469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 1.8109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3764 3.0425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7835 3.7291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2768 1.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0204 0.7809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6751 5.6661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8769 5.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7899 4.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3935 5.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8774 -0.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7941 -1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2315 -1.2934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 4.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0738 -1.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1693 -3.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7327 -2.7234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3126 -0.7605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0426 -2.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0431 -2.7896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 -3.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0463 -3.5184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2649 -2.0711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9948 -3.7204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6059 -3.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8456 -4.8257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9828 -5.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8488 -5.5546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 22 2 0 0 0 0 3 30 1 0 0 0 0 3 41 1 0 0 0 0 4 29 2 0 0 0 0 5 38 1 0 0 0 0 5 45 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 8 18 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 13 9 1 1 0 0 0 9 23 2 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 11 23 1 0 0 0 0 11 29 1 0 0 0 0 11 60 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 46 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 17 20 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 27 61 1 0 0 0 0 28 33 2 0 0 0 0 28 62 1 0 0 0 0 29 35 1 0 0 0 0 30 34 1 0 0 0 0 31 36 2 0 0 0 0 31 63 1 0 0 0 0 32 37 2 0 0 0 0 32 64 1 0 0 0 0 33 37 1 0 0 0 0 33 65 1 0 0 0 0 34 38 2 0 0 0 0 34 66 1 0 0 0 0 35 39 2 0 0 0 0 35 40 1 0 0 0 0 36 38 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 39 42 1 0 0 0 0 39 69 1 0 0 0 0 40 43 2 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 42 44 2 0 0 0 0 42 74 1 0 0 0 0 43 44 1 0 0 0 0 43 75 1 0 0 0 0 44 76 1 0 0 0 0 45 77 1 0 0 0 0 45 78 1 0 0 0 0 45 79 1 0 0 0 0 M END > 60158525 > 1 > 1210 > 6 > 1 > 7 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWIAAAAwYMGCAAAAAECBUAAAHgAYAAAADCzBmAYzxoPABACoAiVSdACCCAElIgAfiAEObMiMZzLEvZuUMShvxzfI6aeY+C6OIAAACAAIAABAAAAQABAAAAAAAAAAAA== > N-[(5R)-3-[(2,4-dimethoxyphenyl)methyl]-1',3'-dioxo-2'-phenyl-spiro[4H-imidazole-5,5'-8,9,10,10a-tetrahydro-7H-[1,2,4]triazolo[1,2-a]cinnoline]-2-yl]benzamide > N-[(5R)-3-[(2,4-dimethoxyphenyl)methyl]-1',3'-dioxo-2'-phenyl-2-spiro[4H-imidazole-5,5'-8,9,10,10a-tetrahydro-7H-[1,2,4]triazolo[1,2-a]cinnoline]yl]benzamide > N-[(5R)-3-[(2,4-dimethoxyphenyl)methyl]-1',3'-dioxo-2'-phenylspiro[4H-imidazole-5,5'-8,9,10,10a-tetrahydro-7H-[1,2,4]triazolo[1,2-a]cinnoline]-2-yl]benzamide > N-[(5R)-3-[(2,4-dimethoxyphenyl)methyl]-1',3'-dioxo-2'-phenylspiro[4H-imidazole-5,5'-8,9,10,10a-tetrahydro-7H-[1,2,4]triazolo[1,2-a]cinnoline]-2-yl]benzamide > N-[(5R)-3-[(2,4-dimethoxyphenyl)methyl]-1',3'-bis(oxidanylidene)-2'-phenyl-spiro[4H-imidazole-5,5'-8,9,10,10a-tetrahydro-7H-[1,2,4]triazolo[1,2-a]cinnoline]-2-yl]benzamide > N-[(4R)-1-(2,4-dimethoxybenzyl)-1',3'-diketo-2'-phenyl-spiro[2-imidazoline-4,5'-8,9,10,10a-tetrahydro-7H-[1,2,4]triazolo[1,2-a]cinnoline]-2-yl]benzamide > InChI=1S/C34H34N6O5/c1-44-27-18-17-25(29(19-27)45-2)21-37-22-34(36-31(37)35-30(41)23-11-5-3-6-12-23)20-24-13-9-10-16-28(24)39-32(42)38(33(43)40(34)39)26-14-7-4-8-15-26/h3-8,11-12,14-15,17-20,28H,9-10,13,16,21-22H2,1-2H3,(H,35,36,41)/t28?,34-/m1/s1 > OEEIPHYYTRDXAC-UEQQQCIWSA-N > 4.2 > 606.25906821 > C34H34N6O5 > 606.7 > COC1=CC(=C(C=C1)CN2CC3(C=C4CCCCC4N5N3C(=O)N(C5=O)C6=CC=CC=C6)N=C2NC(=O)C7=CC=CC=C7)OC > COC1=CC(=C(C=C1)CN2C[C@]3(C=C4CCCCC4N5N3C(=O)N(C5=O)C6=CC=CC=C6)N=C2NC(=O)C7=CC=CC=C7)OC > 107 > 606.25906821 > 0 > 45 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 21 8 10 22 8 12 15 3 25 27 8 25 28 8 26 30 8 26 31 8 27 32 8 28 33 8 30 34 8 31 36 8 32 37 8 33 37 8 34 38 8 35 39 8 35 40 8 36 38 8 39 42 8 40 43 8 42 44 8 43 44 8 6 21 8 6 7 8 7 22 8 13 9 5 $$$$