58119874 -OEChem-03282405102D 56 58 0 1 0 0 0 0 0999 V2000 5.2018 2.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -0.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 0.8635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2018 -0.6365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.8635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -0.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2018 -1.6365 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3358 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2018 1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -2.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 -2.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4418 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4418 1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -0.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9539 -0.6735 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 10.6439 -0.1365 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 11.8200 1.9004 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 12.4400 1.9004 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 11.8200 -1.1735 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 12.4400 -1.1735 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 13.3060 1.4004 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 13.6160 0.8635 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 13.6160 -0.1365 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 13.3060 -0.6735 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 10.7965 1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9994 1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1334 0.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9304 0.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0644 1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2673 1.8384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 -1.2115 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.2435 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 6.6047 -2.4465 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 5.7578 -2.6735 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 6.3778 -1.5996 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 4.0258 -1.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 -2.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6457 -2.6735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -1.2912 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 3.4490 2.0181 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4694 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1964 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 4.6648 2.6735 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 56 1 0 0 0 0 2 19 2 0 0 0 0 3 20 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 45 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 24 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 21 1 0 0 0 0 18 25 2 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 M ISO 8 28 2 29 2 30 2 31 2 32 2 33 2 34 2 35 2 M ISO 8 36 2 37 2 44 2 45 2 46 2 47 2 48 2 52 2 M ISO 4 53 2 54 2 55 2 56 2 M END > 58119874 > 1 > 581 > 4 > 2 > 6 > AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBAAAAHgAQCAAADCzBmAQywIPAAgCIAiVSUACCAAAhIgAIiIEIbMgIJirI0ZGEcAhm1gHI2QeQwCAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > N-[3-(2,2,3,3,4,4,5,5,6,6-decadeuterio-1-piperidyl)propyl]-N,5,6,7,8-pentadeuterio-4-deuteriooxy-2-oxo-1-(1,2,2,2-tetradeuterio-1-methyl-ethyl)quinoline-3-carboxamide > N-[3-(2,2,3,3,4,4,5,5,6,6-decadeuterio-1-piperidinyl)propyl]-N,5,6,7,8-pentadeuterio-4-deuteriooxy-2-oxo-1-(1,1,1,2-tetradeuteriopropan-2-yl)-3-quinolinecarboxamide > N-[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)propyl]-N,5,6,7,8-pentadeuterio-4-deuteriooxy-2-oxo-1-(1,1,1,2-tetradeuteriopropan-2-yl)quinoline-3-carboxamide > N-[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)propyl]-N,5,6,7,8-pentadeuterio-4-deuteriooxy-2-oxo-1-(1,1,1,2-tetradeuteriopropan-2-yl)quinoline-3-carboxamide > N-[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)propyl]-N,5,6,7,8-pentadeuterio-4-deuteriooxy-2-oxidanylidene-1-(1,1,1,2-tetradeuteriopropan-2-yl)quinoline-3-carboxamide > N-[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidino)propyl]-N,5,6,7,8-pentadeuterio-4-deuteriooxy-2-keto-1-(1,2,2,2-tetradeuterio-1-methyl-ethyl)quinoline-3-carboxamide > InChI=1S/C21H29N3O3/c1-15(2)24-17-10-5-4-9-16(17)19(25)18(21(24)27)20(26)22-11-8-14-23-12-6-3-7-13-23/h4-5,9-10,15,25H,3,6-8,11-14H2,1-2H3,(H,22,26)/i1D3,3D2,4D,5D,6D2,7D2,9D,10D,12D2,13D2,15D/hD2 > KHWBAXTVSYHUED-OGRZPOKWSA-N > 3.5 > 391.34642671 > C21H29N3O3 > 391.6 > CC(C)N1C2=CC=CC=C2C(=C(C1=O)C(=O)NCCCN3CCCCC3)O > [2H]C1=C(C(=C2C(=C1[2H])C(=C(C(=O)N2C([2H])(C)C([2H])([2H])[2H])C(=O)N([2H])CCCN3C(C(C(C(C3([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])O[2H])[2H])[2H] > 72.9 > 391.34642671 > 0 > 27 > 0 > 1 > 0 > 0 > 20 > 1 > -1 > 1 5 255 > 15 44 3 16 18 8 16 24 8 17 19 8 17 21 8 18 21 8 18 25 8 24 26 8 25 27 8 26 27 8 5 16 8 5 19 8 $$$$