60193766 -OEChem-04262408252D 77 82 0 1 0 0 0 0 0999 V2000 6.3966 3.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3094 2.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.7088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.7912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.0960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.7912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8094 3.4936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.2912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2626 -2.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -4.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0422 -2.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 -4.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7113 -3.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6402 1.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 3.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8481 0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0881 3.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -1.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -2.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -3.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 -2.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6131 -4.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1683 -4.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5437 -2.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7322 -2.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0197 -5.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7777 -4.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2129 -3.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1261 -3.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.1479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2417 0.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9770 0.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4546 1.0352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5029 4.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6273 4.3697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6732 3.4941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 68 1 0 0 0 0 2 28 2 0 0 0 0 3 32 1 0 0 0 0 3 36 1 0 0 0 0 4 9 1 0 0 0 0 4 34 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 28 1 0 0 0 0 7 17 1 0 0 0 0 7 24 1 0 0 0 0 7 57 1 0 0 0 0 8 28 1 0 0 0 0 8 33 1 0 0 0 0 8 67 1 0 0 0 0 9 35 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 17 2 0 0 0 0 14 21 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 18 27 1 6 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 52 1 0 0 0 0 21 24 2 0 0 0 0 21 29 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 30 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 29 31 2 0 0 0 0 29 64 1 0 0 0 0 30 32 2 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 37 1 0 0 0 0 35 38 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 M END > 60193766 > 1 > 832 > 6 > 3 > 5 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAeLEAAA8WIAAAAAAAFgB/AAAHgAUCAAADyzhngYzxvPZlgCpA6RyVgCCiCAlMiAomSG/fNqOdvrEsbuUcahu1pvY6WeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1R)-1'-(cyclopentylmethyl)-N-(3,5-dimethylisoxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide > (1R)-1'-(cyclopentylmethyl)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide > (1R)-1'-(cyclopentylmethyl)-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]-2-carboxamide > (1R)-1'-(cyclopentylmethyl)-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]-2-carboxamide > (1R)-1'-(cyclopentylmethyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide > (1R)-1'-(cyclopentylmethyl)-N-(3,5-dimethylisoxazol-4-yl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-carboxamide > InChI=1S/C29H39N5O4/c1-18-26(19(2)38-32-18)31-28(36)34-17-29(10-12-33(13-11-29)15-20-6-4-5-7-20)25-22-9-8-21(37-3)14-23(22)30-27(25)24(34)16-35/h8-9,14,20,24,30,35H,4-7,10-13,15-17H2,1-3H3,(H,31,36)/t24-/m0/s1 > QLANCXFADYFDQK-DEOSSOPVSA-N > 3.5 > 521.30020474 > C29H39N5O4 > 521.7 > CC1=C(C(=NO1)C)NC(=O)N2CC3(CCN(CC3)CC4CCCC4)C5=C(C2CO)NC6=C5C=CC(=C6)OC > CC1=C(C(=NO1)C)NC(=O)N2CC3(CCN(CC3)CC4CCCC4)C5=C([C@@H]2CO)NC6=C5C=CC(=C6)OC > 107 > 521.30020474 > 0 > 38 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 17 8 14 21 8 18 27 6 21 24 8 21 29 8 24 30 8 29 31 8 30 32 8 31 32 8 33 34 8 33 35 8 4 34 8 4 9 8 7 17 8 7 24 8 9 35 8 $$$$