67132707 -OEChem-03282417422D 72 76 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 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 3 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 9.1245 1.7981 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 7.1962 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1658 -0.8473 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 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 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 5.4641 2.5000 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 7.1962 -3.5000 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 3.7320 2.5000 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 8.9282 -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 5.4641 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 3.7320 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 2.0000 2.5000 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 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4252 -0.3826 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 9.7351 1.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1245 2.4181 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 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 8.5832 -1.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3778 -1.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7484 -0.6352 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 8.0622 -1.3800 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 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 9.4651 -2.1900 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 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 2.8660 1.3800 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 9.4651 -3.8100 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 2.8660 4.6200 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 16 2 0 0 0 0 2 18 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 5 18 1 0 0 0 0 20 5 1 6 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 10 1 0 0 0 0 8 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 12 51 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 17 22 2 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 20 27 1 0 0 0 0 20 52 1 0 0 0 0 21 26 1 0 0 0 0 21 53 1 0 0 0 0 22 28 1 0 0 0 0 22 55 1 0 0 0 0 23 31 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 29 1 0 0 0 0 24 58 1 0 0 0 0 25 30 2 0 0 0 0 25 59 1 0 0 0 0 26 28 2 0 0 0 0 26 60 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 61 1 0 0 0 0 29 34 2 0 0 0 0 29 62 1 0 0 0 0 30 34 1 0 0 0 0 30 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 35 1 0 0 0 0 32 67 1 0 0 0 0 33 36 2 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 35 37 2 0 0 0 0 35 70 1 0 0 0 0 36 37 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 M END > 67132707 > 1 > 826 > 3 > 1 > 7 > AAADcfB/MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMECAAAAAACBUAAAHgAQAAAADCjBmAQywIPAAACIAiVSUACCAAAlAgAIiIEIZMgIYDLAlZGUIQhglgDIyccYi4COgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 3-[(2-methyl-1-piperidyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(2-methyl-1-piperidinyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide > 3-[(2-methylpiperidin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(2-methylpiperidin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(2-methylpiperidin-1-yl)methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 1-keto-3-[(2-methylpiperidino)methyl]-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > InChI=1S/C32H35N3O2/c1-3-28(24-15-6-4-7-16-24)33-31(36)30-26-19-10-11-20-27(26)32(37)35(25-17-8-5-9-18-25)29(30)22-34-21-13-12-14-23(34)2/h4-11,15-20,23,28H,3,12-14,21-22H2,1-2H3,(H,33,36)/t23?,28-/m0/s1 > DYJUHMXGUNBURP-WOKNPCPGSA-N > 5.6 > 493.27292737 > C32H35N3O2 > 493.6 > CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCCCC5C > CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5CCCCC5C > 52.6 > 493.27292737 > 0 > 37 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 14 8 14 15 8 15 17 8 15 21 8 16 17 8 17 22 8 19 24 8 19 25 8 21 26 8 22 28 8 24 29 8 25 30 8 26 28 8 27 32 8 27 33 8 29 34 8 30 34 8 32 35 8 33 36 8 35 37 8 36 37 8 4 13 8 4 16 8 20 5 6 6 12 3 $$$$