60194010 -OEChem-04242418262D 76 81 0 1 0 0 0 0 0999 V2000 8.9946 -5.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.8064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.7447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.9400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3966 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9652 1.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 2.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9433 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 2.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 3.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8931 3.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3452 1.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9004 0.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2758 3.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4642 3.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -1.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 0.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5097 0.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9449 1.7392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8582 2.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.3144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 3.8879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 4.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 3.5026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 2.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -0.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 0.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -0.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -0.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 18 2 0 0 0 0 3 21 1 0 0 0 0 3 69 1 0 0 0 0 4 32 1 0 0 0 0 4 38 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 16 1 0 0 0 0 6 24 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 16 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 1 0 0 0 13 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 20 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 50 1 0 0 0 0 20 29 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 53 1 0 0 0 0 22 54 1 0 0 0 0 23 26 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 31 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 30 2 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 32 2 0 0 0 0 29 67 1 0 0 0 0 30 32 1 0 0 0 0 30 68 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 33 35 1 0 0 0 0 33 70 1 0 0 0 0 34 36 2 0 0 0 0 34 71 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 72 1 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 M END > 60194010 > 1 > 829 > 5 > 1 > 5 > AAADcfB7MQAAAAAAAAAAAAAAAAAAAeIAAAA8eIEAAAAAAFgB9AAAHwAACAAADyzhng4yxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOdvLEsZuUcChmxhnY6AeY2PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclopentyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > cyclopentyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone > cyclopentyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > cyclopentyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > cyclopentyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > cyclopentyl-[(1S)-1'-(3-fluorobenzyl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,4'-piperidine]-2-yl]methanone > InChI=1S/C31H38FN3O3/c1-33-26-17-24(38-2)10-11-25(26)28-29(33)27(19-36)35(30(37)22-7-3-4-8-22)20-31(28)12-14-34(15-13-31)18-21-6-5-9-23(32)16-21/h5-6,9-11,16-17,22,27,36H,3-4,7-8,12-15,18-20H2,1-2H3/t27-/m1/s1 > KJJOZYIJWQQGSZ-HHHXNRCGSA-N > 4.1 > 519.28972024 > C31H38FN3O3 > 519.6 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CCN(CC4)CC5=CC(=CC=C5)F)C(=O)C6CCCC6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CCN(CC4)CC5=CC(=CC=C5)F)C(=O)C6CCCC6)CO > 57.9 > 519.28972024 > 0 > 38 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 17 8 13 21 5 17 20 8 17 27 8 20 29 8 27 30 8 29 32 8 30 32 8 31 33 8 31 34 8 33 35 8 34 36 8 35 37 8 36 37 8 7 14 8 7 20 8 $$$$