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0 0 0 0 3.7057 1.2967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1862 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -2.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9397 0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6782 -3.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5442 -2.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 -1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 2.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 -2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5442 -4.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4102 -2.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 2.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 2.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4102 -3.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1244 3.9091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4187 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 4.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9882 1.5179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4882 2.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0705 -0.4956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7608 -0.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 1.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2032 0.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4882 2.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7859 -1.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2398 -0.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6782 0.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2982 0.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6782 1.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2151 3.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3682 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1413 2.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1807 1.6953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1934 -0.0965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8574 1.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1934 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 0.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 0.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1413 -4.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5442 -1.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 -0.9182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7444 -2.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 1.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 1.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 0.4134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5442 -4.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9472 -2.4411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 2.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1174 2.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9472 -4.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5994 4.3076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 3.8204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 4.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 19 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 45 1 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 19 1 0 0 0 0 21 6 1 1 0 0 0 6 56 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 15 2 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 24 1 0 0 0 0 21 28 1 0 0 0 0 21 54 1 0 0 0 0 22 27 1 0 0 0 0 22 55 1 0 0 0 0 23 29 1 0 0 0 0 23 57 1 0 0 0 0 24 32 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 30 1 0 0 0 0 25 60 1 0 0 0 0 26 31 2 0 0 0 0 26 61 1 0 0 0 0 27 29 2 0 0 0 0 27 62 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 63 1 0 0 0 0 30 35 2 0 0 0 0 30 67 1 0 0 0 0 31 35 1 0 0 0 0 31 68 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 36 1 0 0 0 0 33 69 1 0 0 0 0 34 37 2 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 36 38 2 0 0 0 0 36 72 1 0 0 0 0 37 38 1 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 M END > 67132368 > 1 > 850 > 4 > 2 > 7 > AAADcfB/sAAAAAAAAAAAAAAAAAAAAAAAAAA8YMECAAAAAACBUAAAHgAQAAAADCjBmAQywIPAAACIAiVSUACCAAAlAgAIiIEIZMgIYDLAlZGUIQhglgDIyccYi4COgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 3-[(3,5-dimethylpiperazin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(3,5-dimethyl-1-piperazinyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide > 3-[(3,5-dimethylpiperazin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(3,5-dimethylpiperazin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(3,5-dimethylpiperazin-1-yl)methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(3,5-dimethylpiperazino)methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > InChI=1S/C32H36N4O2/c1-4-28(24-13-7-5-8-14-24)34-31(37)30-26-17-11-12-18-27(26)32(38)36(25-15-9-6-10-16-25)29(30)21-35-19-22(2)33-23(3)20-35/h5-18,22-23,28,33H,4,19-21H2,1-3H3,(H,34,37)/t22?,23?,28-/m0/s1 > NIPVLZOOFTUVNB-BSYJTBJZSA-N > 4.5 > 508.28382640 > C32H36N4O2 > 508.7 > CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CC(NC(C5)C)C > CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CC(NC(C5)C)C > 64.7 > 508.28382640 > 0 > 38 > 1 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 15 8 15 16 8 16 17 8 16 22 8 17 18 8 17 23 8 20 25 8 20 26 8 22 27 8 23 29 8 25 30 8 26 31 8 27 29 8 28 33 8 28 34 8 30 35 8 31 35 8 33 36 8 34 37 8 36 38 8 37 38 8 5 12 8 5 18 8 21 6 5 7 13 3 8 14 3 $$$$