67132630 -OEChem-05092414422D 71 75 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 7.8389 0.2660 0.0000 N 0 0 3 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 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 8.8238 0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4665 0.8584 0.0000 C 0 0 1 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 7.1962 -0.5000 0.0000 C 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 6.3301 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4513 0.6848 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 4.5981 -1.0000 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 -2.5000 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 5.4641 2.5000 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 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 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 5.4641 3.5000 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 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 8.9282 -3.5000 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 8.6117 -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 9.8651 1.3334 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 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 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 9.5230 2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3437 0.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0619 0.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5590 1.2954 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 4.0611 0.6900 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 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 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 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 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 9.4651 -3.8100 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 17 2 0 0 0 0 2 18 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 47 1 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 5 19 1 0 0 0 0 6 18 1 0 0 0 0 20 6 1 6 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 13 1 6 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 14 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 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 51 1 0 0 0 0 21 27 1 0 0 0 0 21 53 1 0 0 0 0 22 28 1 0 0 0 0 22 54 1 0 0 0 0 23 29 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 32 2 0 0 0 0 24 33 1 0 0 0 0 25 30 1 0 0 0 0 25 57 1 0 0 0 0 26 31 2 0 0 0 0 26 58 1 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 34 2 0 0 0 0 30 64 1 0 0 0 0 31 34 1 0 0 0 0 31 65 1 0 0 0 0 32 35 1 0 0 0 0 32 66 1 0 0 0 0 33 36 2 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 35 37 2 0 0 0 0 35 69 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 M END > 67132630 > 1 > 829 > 4 > 2 > 7 > AAADcfB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YMECAAAAAACBUAAAHgAQAAAADCjBmAQywIPAAACIAiVSUACCAAAlAgAIiIEIZMgIYDLAlZGUIQhglgDIyccYi4COgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[[(3R)-3-methyl-1-piperazinyl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide > 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 1-keto-3-[[(3R)-3-methylpiperazino]methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > InChI=1S/C31H34N4O2/c1-3-27(23-12-6-4-7-13-23)33-30(36)29-25-16-10-11-17-26(25)31(37)35(24-14-8-5-9-15-24)28(29)21-34-19-18-32-22(2)20-34/h4-17,22,27,32H,3,18-21H2,1-2H3,(H,33,36)/t22-,27+/m1/s1 > YHNGXVPWEXAQFP-AMGIVPHBSA-N > 4.1 > 494.26817634 > C31H34N4O2 > 494.6 > CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCNC(C5)C > CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCN[C@@H](C5)C > 64.7 > 494.26817634 > 0 > 37 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 14 15 8 15 16 8 15 21 8 16 17 8 16 22 8 19 25 8 19 26 8 21 27 8 22 28 8 24 32 8 24 33 8 25 30 8 26 31 8 27 28 8 30 34 8 31 34 8 32 35 8 33 36 8 35 37 8 36 37 8 5 12 8 5 17 8 20 6 6 8 13 6 $$$$