67132797 -OEChem-05142407562D 75 79 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 5.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0000 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 8.9282 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 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 8.9282 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 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 7.1962 -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 3.7041 -0.4653 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 -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 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 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 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 8.3913 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -1.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 0.9631 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 5.1350 1.6900 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 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 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 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 17 2 0 0 0 0 2 20 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 22 5 1 6 0 0 0 5 56 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 39 1 0 0 0 0 7 9 1 0 0 0 0 7 13 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 14 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 52 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 16 21 2 0 0 0 0 17 18 1 0 0 0 0 18 23 2 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 21 26 1 0 0 0 0 21 55 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 22 57 1 0 0 0 0 23 27 1 0 0 0 0 23 58 1 0 0 0 0 24 30 1 0 0 0 0 24 59 1 0 0 0 0 25 31 2 0 0 0 0 25 60 1 0 0 0 0 26 27 2 0 0 0 0 26 61 1 0 0 0 0 27 64 1 0 0 0 0 28 32 1 0 0 0 0 28 62 1 0 0 0 0 28 63 1 0 0 0 0 29 34 2 0 0 0 0 29 35 1 0 0 0 0 30 33 2 0 0 0 0 30 65 1 0 0 0 0 31 33 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 34 36 1 0 0 0 0 34 71 1 0 0 0 0 35 37 2 0 0 0 0 35 72 1 0 0 0 0 36 38 2 0 0 0 0 36 73 1 0 0 0 0 37 38 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 M END > 67132797 > 1 > 846 > 3 > 1 > 7 > AAADcfB/MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMECAAAAAACBUAAAHgAQAAAADCjBmAQywIPAAACIAiVSUACCAAAlAgAIiIEIZMgIYDLAlZGUIQhglgDIyccYi4COgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 3-[(2,6-dimethyl-1-piperidyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(2,6-dimethyl-1-piperidinyl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]-4-isoquinolinecarboxamide > 3-[(2,6-dimethylpiperidin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(2,6-dimethylpiperidin-1-yl)methyl]-1-oxo-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(2,6-dimethylpiperidin-1-yl)methyl]-1-oxidanylidene-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > 3-[(2,6-dimethylpiperidino)methyl]-1-keto-2-phenyl-N-[(1S)-1-phenylpropyl]isoquinoline-4-carboxamide > InChI=1S/C33H37N3O2/c1-4-29(25-16-7-5-8-17-25)34-32(37)31-27-20-11-12-21-28(27)33(38)36(26-18-9-6-10-19-26)30(31)22-35-23(2)14-13-15-24(35)3/h5-12,16-21,23-24,29H,4,13-15,22H2,1-3H3,(H,34,37)/t23?,24?,29-/m0/s1 > VKQVKUMLIZHXRI-DHCVZJGKSA-N > 6 > 507.28857743 > C33H37N3O2 > 507.7 > CCC(C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5C(CCCC5C)C > CC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)CN5C(CCCC5C)C > 52.6 > 507.28857743 > 0 > 38 > 1 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 15 8 15 16 8 16 18 8 16 21 8 17 18 8 18 23 8 19 24 8 19 25 8 21 26 8 23 27 8 24 30 8 25 31 8 26 27 8 29 34 8 29 35 8 30 33 8 31 33 8 34 36 8 35 37 8 36 38 8 37 38 8 4 14 8 4 17 8 22 5 6 6 12 3 7 13 3 $$$$