51361390 -OEChem-04262401432D 66 71 0 1 0 0 0 0 0999 V2000 11.9443 3.3487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3103 2.9827 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9443 1.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 -1.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 3.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 2.4896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -0.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 0.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 0.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 1.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -4.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -1.0173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9802 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1142 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8462 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5161 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 -1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2482 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6222 -4.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 -2.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7161 -3.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6501 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9180 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4443 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 4.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7156 -1.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 -1.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0361 1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6376 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -0.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1923 -1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5908 -0.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5127 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7156 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7851 -2.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 0.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 -0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6293 -1.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7851 -3.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1152 0.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6293 -4.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 3.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1804 -2.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1804 -3.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 2.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7841 -0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 0.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 4.5248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5048 4.5279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7864 4.1132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 3.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 18 2 0 0 0 0 5 35 1 0 0 0 0 5 39 1 0 0 0 0 6 36 1 0 0 0 0 6 40 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 0 0 0 0 9 18 1 0 0 0 0 9 26 1 0 0 0 0 9 51 1 0 0 0 0 10 19 2 0 0 0 0 10 29 1 0 0 0 0 11 22 1 0 0 0 0 11 25 2 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 16 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 21 25 1 0 0 0 0 21 50 1 0 0 0 0 22 28 2 0 0 0 0 23 27 2 0 0 0 0 23 52 1 0 0 0 0 24 31 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 26 33 2 0 0 0 0 26 34 1 0 0 0 0 27 30 1 0 0 0 0 27 55 1 0 0 0 0 28 32 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 38 1 0 0 0 0 31 32 2 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 35 1 0 0 0 0 33 60 1 0 0 0 0 34 37 2 0 0 0 0 34 61 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 62 1 0 0 0 0 39 40 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 M END > 51361390 > 1 > 857 > 10 > 1 > 5 > AAADceB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8eLEiAAAAAACx/AAAHwAQAAAADCzhnhY99vPIFACoAzd3dACCiCkxIiAJ2CG+7JiNZvLEvbuWOCru1BvK6Ce42cOegEAAAgACQAAAgAAEAASAAAAAAAAAAA== > N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-quinolyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]acetamide > N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-quinolinyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]acetamide > N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-4-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide > N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-4-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]acetamide > N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-4-yl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethanamide > N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-quinolyl)-2-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]acetamide > InChI=1S/C29H26F3N5O3/c30-29(31,32)19-5-8-26(34-18-19)36-11-13-37(14-12-36)27(22-9-10-33-23-4-2-1-3-21(22)23)28(38)35-20-6-7-24-25(17-20)40-16-15-39-24/h1-10,17-18,27H,11-16H2,(H,35,38) > ZKKRJAYKXVBMAY-UHFFFAOYSA-N > 4.6 > 549.19877419 > C29H26F3N5O3 > 549.5 > C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(C3=CC=NC4=CC=CC=C34)C(=O)NC5=CC6=C(C=C5)OCCO6 > C1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(C3=CC=NC4=CC=CC=C34)C(=O)NC5=CC6=C(C=C5)OCCO6 > 79.8 > 549.19877419 > 0 > 40 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 19 8 10 29 8 11 22 8 11 25 8 14 18 3 17 20 8 17 21 8 19 23 8 20 22 8 20 24 8 21 25 8 22 28 8 23 27 8 24 31 8 26 33 8 26 34 8 27 30 8 28 32 8 29 30 8 31 32 8 33 35 8 34 37 8 35 36 8 36 37 8 $$$$