71760124 -OEChem-04182416572D 60 64 0 1 0 0 0 0 0999 V2000 12.4587 -0.5600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.2447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1286 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 -0.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -1.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -1.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -0.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -1.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 1.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8826 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 0.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3237 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -1.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -2.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 19 1 0 0 0 0 2 53 1 0 0 0 0 3 20 2 0 0 0 0 4 26 1 0 0 0 0 4 32 1 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 44 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 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 19 1 1 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 25 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 23 26 2 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 2 0 0 0 0 25 28 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END > 71760124 > 1 > 677 > 5 > 2 > 3 > AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB9AAAHwAQCAAADizhng4yxvPJlgCoAyVyVACCiCAlIiAImSE+bNgOdvLEtZuUcShm1hnY6YeY2POPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone > (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > (4-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-methyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > (4-fluorophenyl)-[(1S)-7-methoxy-1'-methyl-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-yl]methanone > InChI=1S/C25H28FN3O3/c1-28-11-9-25(10-12-28)15-29(24(31)16-3-5-17(26)6-4-16)21(14-30)23-22(25)19-8-7-18(32-2)13-20(19)27-23/h3-8,13,21,27,30H,9-12,14-15H2,1-2H3/t21-/m1/s1 > PREBDFYCWRDAAI-OAQYLSRUSA-N > 2.8 > 437.21146993 > C25H28FN3O3 > 437.5 > CN1CCC2(CC1)CN(C(C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)C5=CC=C(C=C5)F > CN1CCC2(CC1)CN([C@@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)C5=CC=C(C=C5)F > 68.8 > 437.21146993 > 0 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 13 8 10 17 8 14 19 5 17 18 8 17 22 8 18 23 8 22 24 8 23 26 8 24 26 8 25 27 8 25 28 8 27 29 8 28 30 8 29 31 8 30 31 8 7 13 8 7 18 8 $$$$