60188807 -OEChem-04192401252D 65 69 0 1 0 0 0 0 0999 V2000 7.2314 -4.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9103 0.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 4.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5531 -1.1716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2314 -2.4763 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2640 -0.0148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4994 -2.4763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4994 -1.4763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3654 -2.9763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5531 -2.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9695 -1.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3654 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2314 -1.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3654 -3.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 -0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3493 0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9533 0.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0974 -2.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1414 -0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5397 1.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0017 1.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2474 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9505 2.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1494 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2435 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1076 2.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3756 2.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 3.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3717 3.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2358 3.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0960 5.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4094 -3.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4094 -0.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9023 -3.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 -3.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -3.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 -1.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 -2.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7548 -3.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1533 -4.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8088 0.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 0.4965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7874 -3.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6344 -3.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4075 -2.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8499 -0.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6747 -1.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 1.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9997 2.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 1.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 0.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4869 2.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6974 3.1197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 2.8493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 2.1772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6876 0.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2314 -5.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6457 1.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8398 1.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6395 3.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 3.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 4.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6318 5.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 5.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 58 1 0 0 0 0 2 15 2 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 18 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 33 1 1 0 0 0 8 12 1 0 0 0 0 8 34 1 1 0 0 0 9 14 1 1 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 22 2 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 25 2 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 59 1 0 0 0 0 28 30 2 0 0 0 0 28 60 1 0 0 0 0 29 31 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 M END > 60188807 > 1 > 646 > 4 > 2 > 4 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAeIAAAA8YIAAAAAAAFixQAAAHgAQCAAADSzhmAYzxoPABgCIAiRCUACCCAAhIgAIiIAObIiONiLE8ZuEcChs1hPY6Aew0PIOqAACAAACAABQAAQAAAQAAAAAAAAAAA== > (3aR,4R,9bS)-N-cyclopentyl-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > (3aR,4R,9bS)-N-cyclopentyl-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > (3aR,4R,9bS)-N-cyclopentyl-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > (3aR,4R,9bS)-N-cyclopentyl-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > (3aR,4R,9bS)-N-cyclopentyl-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > (3aR,4R,9bS)-N-cyclopentyl-8-(4-methoxyphenyl)-5-methyl-4-methylol-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > InChI=1S/C26H33N3O3/c1-28-23-12-9-18(17-7-10-20(32-2)11-8-17)15-22(23)25-21(24(28)16-30)13-14-29(25)26(31)27-19-5-3-4-6-19/h7-12,15,19,21,24-25,30H,3-6,13-14,16H2,1-2H3,(H,27,31)/t21-,24-,25-/m0/s1 > MWCSMAXBGVLEAN-TUSQITKMSA-N > 3.6 > 435.25219192 > C26H33N3O3 > 435.6 > CN1C(C2CCN(C2C3=C1C=CC(=C3)C4=CC=C(C=C4)OC)C(=O)NC5CCCC5)CO > CN1[C@H]([C@@H]2CCN([C@@H]2C3=C1C=CC(=C3)C4=CC=C(C=C4)OC)C(=O)NC5CCCC5)CO > 65 > 435.25219192 > 0 > 32 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 8 12 16 8 13 19 8 16 22 8 19 25 8 22 25 8 26 27 8 26 28 8 27 29 8 28 30 8 29 31 8 30 31 8 7 33 5 8 34 5 9 14 5 $$$$