60184293 -OEChem-05132411082D 66 70 0 1 0 0 0 0 0999 V2000 6.3966 4.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -2.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6286 -5.0794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 2.4594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.0406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.7642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.5406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 -5.0794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 2.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.9594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3966 -0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.8680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 2.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3196 -4.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9376 -4.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3685 -3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8887 -3.8194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 1.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 0.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 1.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 3.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.4329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 3.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 4.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 2.3740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -0.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5506 1.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 2.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1707 2.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 5.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -2.2306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 0.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -0.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -0.3406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5601 -3.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 -3.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1769 -4.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0803 -4.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4783 -3.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 -3.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 56 1 0 0 0 0 2 23 2 0 0 0 0 3 25 2 0 0 0 0 4 29 1 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 23 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 25 1 0 0 0 0 8 16 1 0 0 0 0 8 21 1 0 0 0 0 8 47 1 0 0 0 0 9 25 1 0 0 0 0 9 30 1 0 0 0 0 9 57 1 0 0 0 0 10 32 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 2 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 6 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 26 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 28 1 0 0 0 0 24 27 2 0 0 0 0 24 50 1 0 0 0 0 26 29 2 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 M END > 60184293 > 1 > 805 > 6 > 3 > 3 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWLAAAA8WIAAAAAAAFgB/AAAHgAUCAAADizhngYzxvPZlgCpA6VyVgCCiCAlMiAomSG/fNqOdvrEsbuUcahu1pvY6WeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1R)-2-acetyl-N-(3,5-dimethylisoxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1R)-2-acetyl-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide > (1R)-2-acetyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1R)-2-acetyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1R)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethanoyl-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1R)-2-acetyl-N-(3,5-dimethylisoxazol-4-yl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-1'-carboxamide > InChI=1S/C25H31N5O5/c1-14-22(15(2)35-28-14)27-24(33)29-9-7-25(8-10-29)13-30(16(3)32)20(12-31)23-21(25)18-6-5-17(34-4)11-19(18)26-23/h5-6,11,20,26,31H,7-10,12-13H2,1-4H3,(H,27,33)/t20-/m0/s1 > RRUMNLOIXHQRSI-FQEVSTJZSA-N > 1.2 > 481.23251911 > C25H31N5O5 > 481.5 > CC1=C(C(=NO1)C)NC(=O)N2CCC3(CC2)CN(C(C4=C3C5=C(N4)C=C(C=C5)OC)CO)C(=O)C > CC1=C(C(=NO1)C)NC(=O)N2CCC3(CC2)CN([C@H](C4=C3C5=C(N4)C=C(C=C5)OC)CO)C(=O)C > 124 > 481.23251911 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 32 8 13 16 8 13 20 8 17 22 6 20 21 8 20 24 8 21 26 8 24 27 8 26 29 8 27 29 8 30 31 8 30 32 8 5 10 8 5 31 8 8 16 8 8 21 8 $$$$