60218367 -OEChem-04262418112D 70 74 0 1 0 0 0 0 0999 V2000 3.7320 2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7041 3.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7041 5.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 3.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 5.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -2.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -2.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -2.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -1.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -4.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 2.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 6.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -5.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 3.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 5.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 3.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 4.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -6.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 29 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 15 1 0 0 0 0 5 25 1 0 0 0 0 5 29 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 6 54 1 0 0 0 0 7 36 2 0 0 0 0 7 37 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 11 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 20 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 50 1 0 0 0 0 16 23 2 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 24 1 0 0 0 0 18 53 1 0 0 0 0 19 22 1 0 0 0 0 19 27 2 0 0 0 0 20 31 2 0 0 0 0 20 32 1 0 0 0 0 22 26 1 0 0 0 0 22 30 2 0 0 0 0 23 28 1 0 0 0 0 23 55 1 0 0 0 0 24 28 2 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 27 33 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 35 1 0 0 0 0 30 34 1 0 0 0 0 30 61 1 0 0 0 0 31 36 1 0 0 0 0 31 62 1 0 0 0 0 32 37 2 0 0 0 0 32 63 1 0 0 0 0 33 34 2 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 M END > 60218367 > 1 > 789 > 5 > 1 > 7 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIECAAAAAACB0AAAHgAQAAAADCjBmgQ+wJPIEACoAjV3VACCgCAxAiAI2CE4dJgIYHrA0ZGUIAhglgDIyAcYiICOgAAAAAAQACAAAAAAACAAQAAAAAAAAA== > 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]phenyl]acetamide > 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]phenyl]acetamide > 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide > 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]acetamide > 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]ethanamide > 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-[4-[2-(4-pyridyl)ethyl]piperazino]phenyl]acetamide > InChI=1S/C30H33N5O2/c1-23(36)35-17-13-25-6-2-3-7-26(25)29(35)22-30(37)32-27-8-4-5-9-28(27)34-20-18-33(19-21-34)16-12-24-10-14-31-15-11-24/h2-11,13-15,17,29H,12,16,18-22H2,1H3,(H,32,37) > MHOUDRXVPHFYEA-UHFFFAOYSA-N > 3 > 495.26342531 > C30H33N5O2 > 495.6 > CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC=C3N4CCN(CC4)CCC5=CC=NC=C5 > CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC=C3N4CCN(CC4)CCC5=CC=NC=C5 > 68.8 > 495.26342531 > 0 > 37 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 16 8 13 18 8 15 17 3 16 23 8 18 24 8 19 22 8 19 27 8 20 31 8 20 32 8 22 30 8 23 28 8 24 28 8 27 33 8 30 34 8 31 36 8 32 37 8 33 34 8 7 36 8 7 37 8 $$$$