3186246 -OEChem-06181318392D 67 72 0 1 0 0 0 0 0999 V2000 2.8090 0.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8917 3.3970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4978 4.2017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 -3.2701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7770 0.1366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 -0.2701 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1079 -0.6065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5860 -1.2647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 -3.2701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 -1.4726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 1.4238 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3090 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 2.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 1.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5566 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 -1.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 1.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0207 -1.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0207 -2.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 -2.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9146 -3.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 1.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8207 -2.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9146 -1.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 2.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8207 -1.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2886 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 2.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9031 -4.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6848 -3.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4866 4.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 0.5842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9155 2.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 2.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 2.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 2.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 1.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6554 1.7287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4336 1.6759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9551 0.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 0.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8120 -1.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2106 -1.8528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5007 -0.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8992 0.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 -0.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 -3.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6916 1.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8857 1.4199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9074 -0.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3564 -1.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8857 3.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2831 -4.2976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8959 -4.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5230 -4.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3727 -3.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2205 -3.6064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9968 -2.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0762 4.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3578 4.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 31 1 0 0 0 0 2 37 1 0 0 0 0 3 33 1 0 0 0 0 3 37 1 0 0 0 0 4 25 2 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 8 10 1 0 0 0 0 8 17 2 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 9 54 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 30 1 0 0 0 0 24 26 1 0 0 0 0 26 29 2 0 0 0 0 26 35 1 0 0 0 0 27 31 1 0 0 0 0 27 55 1 0 0 0 0 28 34 2 0 0 0 0 28 56 1 0 0 0 0 29 32 1 0 0 0 0 29 36 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 M END > 3186246 > 1 > 844 > 8 > 1 > 8 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWJEgAAwYIAAAAAAAEiB0AAAHgAYAAAADBzhmwcz3ofIBACqAidydACCCAMhoIAdyAEezMifZirE+Zu3MCpkxBPe6Yew0NIO4AADQAASQADAAAaAACSAAAAAAAAAAA== > 3-[[1,3-benzodioxol-5-ylmethyl-[[1-(tetrahydrofuran-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one > 3-[[1,3-benzodioxol-5-ylmethyl-[[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one > 3-[[1,3-benzodioxol-5-ylmethyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one > 3-[[1,3-benzodioxol-5-ylmethyl-[[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one > 7,8-dimethyl-3-[[piperonyl-[[1-(tetrahydrofurfuryl)tetrazol-5-yl]methyl]amino]methyl]carbostyril > InChI=1S/C27H30N6O4/c1-17-5-7-20-11-21(27(34)28-26(20)18(17)2)13-32(12-19-6-8-23-24(10-19)37-16-36-23)15-25-29-30-31-33(25)14-22-4-3-9-35-22/h5-8,10-11,22H,3-4,9,12-16H2,1-2H3,(H,28,34) > VOUPLFJTPKGMGZ-UHFFFAOYSA-N > 2.7 > 502.232853 > C27H30N6O4 > 502.5649 > CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)CC5=NN=NN5CC6CCCO6)C > CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)CC5=NN=NN5CC6CCCO6)C > 104 > 502.232853 > 0 > 37 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 1 5 255 > 11 38 3 20 22 8 20 25 8 21 27 8 21 28 8 22 23 8 23 24 8 23 30 8 24 26 8 26 29 8 27 31 8 28 34 8 29 32 8 30 32 8 31 33 8 33 34 8 5 17 8 5 7 8 7 10 8 8 10 8 8 17 8 9 24 8 9 25 8 $$$$