67132564 -OEChem-04242420532D 80 84 0 1 0 0 0 0 0999 V2000 5.4641 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1245 1.7981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8389 0.2660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1397 1.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4665 0.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4969 1.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7673 2.5642 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7521 2.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4253 3.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3949 3.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7041 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7041 -2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3518 2.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6028 2.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8651 0.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0035 1.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0984 1.6807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9600 0.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6117 -0.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3607 -0.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1567 2.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2681 -1.1158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5401 1.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2890 2.0805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0079 3.7159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2132 4.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8427 3.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8698 2.7580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7934 3.6315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9200 3.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7113 -3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -0.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 21 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 5 22 1 0 0 0 0 6 21 1 0 0 0 0 23 6 1 6 0 0 0 6 62 1 0 0 0 0 7 9 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 10 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 49 1 0 0 0 0 12 14 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 17 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 16 2 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 20 1 0 0 0 0 18 24 2 0 0 0 0 19 20 1 0 0 0 0 20 25 2 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 31 1 0 0 0 0 23 60 1 0 0 0 0 24 29 1 0 0 0 0 24 61 1 0 0 0 0 25 30 1 0 0 0 0 25 63 1 0 0 0 0 26 32 1 0 0 0 0 26 66 1 0 0 0 0 27 33 2 0 0 0 0 27 67 1 0 0 0 0 28 34 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 2 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 32 35 2 0 0 0 0 32 70 1 0 0 0 0 33 35 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 75 1 0 0 0 0 36 38 1 0 0 0 0 36 76 1 0 0 0 0 37 39 2 0 0 0 0 37 77 1 0 0 0 0 38 40 2 0 0 0 0 38 78 1 0 0 0 0 39 40 1 0 0 0 0 39 79 1 0 0 0 0 40 80 1 0 0 0 0 M END > 67132564 > 1 > 882 > 4 > 1 > 9 > AAADcfB/sAAAAAAAAAAAAAAAAAAAAAAAAAA8YMECAAAAAACBUAAAHgAQAAAADCjBmAQywIPAAACIAiVSUACCAAAlAgAIiIEIZMgIYDLAlZGUIQhglgDIyccYi4COgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-sec-butylpiperazin-1-yl)methyl]isoquinoline-4-carboxamide > 3-[(4-butan-2-yl-1-piperazinyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide > 3-[(4-butan-2-ylpiperazin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(4-butan-2-ylpiperazin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(4-butan-2-ylpiperazin-1-yl)methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]-3-[(4-sec-butylpiperazino)methyl]isoquinoline-4-carboxamide > InChI=1S/C34H40N4O2/c1-4-25(3)37-22-20-36(21-23-37)24-31-32(33(39)35-30(5-2)26-14-8-6-9-15-26)28-18-12-13-19-29(28)34(40)38(31)27-16-10-7-11-17-27/h6-19,25,30H,4-5,20-24H2,1-3H3,(H,35,39)/t25?,30-/m0/s1 > VVTBCPWOJRXWIG-QNGSWNHHSA-N > 5.5 > 536.31512653 > C34H40N4O2 > 536.7 > CCC(C)N1CCN(CC1)CC2=C(C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(=O)NC(CC)C5=CC=CC=C5 > CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN(CC5)C(C)CC > 55.9 > 536.31512653 > 0 > 40 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 3 14 16 8 16 18 8 18 20 8 18 24 8 19 20 8 20 25 8 22 26 8 22 27 8 24 29 8 25 30 8 26 32 8 27 33 8 29 30 8 31 36 8 31 37 8 32 35 8 33 35 8 36 38 8 37 39 8 38 40 8 39 40 8 5 14 8 5 19 8 23 6 6 $$$$