60193867 -OEChem-04192416132D 68 72 0 1 0 0 0 0 0999 V2000 8.9946 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.3064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.2447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.9400 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 6.3966 -0.0600 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 7.2626 2.4400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3966 1.9400 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 8.1286 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1195 0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8266 2.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0854 1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9416 2.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5206 0.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2799 0.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4255 2.3593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6661 2.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2459 0.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6843 1.3934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 4.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -0.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -3.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5180 -3.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 -4.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6846 -5.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3046 -4.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -0.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 24 1 0 0 0 0 2 60 1 0 0 0 0 3 26 2 0 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 19 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 26 1 0 0 0 0 7 14 1 0 0 0 0 7 22 1 0 0 0 0 7 50 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 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 2 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 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 24 1 6 0 0 0 13 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 18 22 2 0 0 0 0 18 25 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 27 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 28 2 0 0 0 0 25 55 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 56 1 0 0 0 0 28 30 1 0 0 0 0 28 57 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 31 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 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 M END > 60193867 > 1 > 733 > 4 > 2 > 5 > AAADcfB7OAAAAAAAAAAAAAAAAABgAWAAAAA8WIAAAAAAAFgB8AAAHgAQCAAADyzhngYyxvPJlgCoAyVyVACCiCAhIiAImSE+bJgOdvLEsZuUcChm1hnY6AeY0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 1-[(1R)-2-(cyclobutanecarbonyl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]butan-1-one > 1-[(1R)-2-[cyclobutyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone > 1-[(1R)-2-(cyclobutanecarbonyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]butan-1-one > 1-[(1R)-2-(cyclobutanecarbonyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]butan-1-one > 1-[(1R)-2-cyclobutylcarbonyl-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]butan-1-one > 1-[(1R)-2-(cyclobutanecarbonyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-1'-yl]butan-1-one > InChI=1S/C26H35N3O4/c1-3-5-22(31)28-12-10-26(11-13-28)16-29(25(32)17-6-4-7-17)21(15-30)24-23(26)19-9-8-18(33-2)14-20(19)27-24/h8-9,14,17,21,27,30H,3-7,10-13,15-16H2,1-2H3/t21-/m0/s1 > ADMZKCGAMLQANG-NRFANRHFSA-N > 2.3 > 453.26275661 > C26H35N3O4 > 453.6 > CCCC(=O)N1CCC2(CC1)CN(C(C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)C5CCC5 > CCCC(=O)N1CCC2(CC1)CN([C@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)C5CCC5 > 85.9 > 453.26275661 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 18 8 13 24 6 18 22 8 18 25 8 22 27 8 25 28 8 27 30 8 28 30 8 7 14 8 7 22 8 $$$$