69985553 -OEChem-04252410512D 70 74 0 1 0 0 0 0 0999 V2000 2.0000 -0.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.1627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3185 -1.6727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.3540 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.4544 -1.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 -1.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 -1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2279 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4178 -2.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8928 -2.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 1.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3888 -2.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5422 -0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8721 -1.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5215 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1865 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9926 -0.8615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1861 -2.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9832 -2.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0685 -0.2794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6726 0.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1122 -1.0527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5081 -1.7445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9946 0.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 0.8104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 0.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4655 0.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5939 -0.6295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3909 -0.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5305 0.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7334 0.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8618 -0.6228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6589 -0.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9547 -3.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0089 1.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 1.9793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 -0.6297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 -0.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 2.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 2.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6368 -3.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1299 0.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2844 -2.2786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7164 0.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7936 -0.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.1252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 32 1 0 0 0 0 2 31 1 0 0 0 0 2 33 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 34 1 0 0 0 0 7 9 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 19 1 0 0 0 0 15 24 2 0 0 0 0 16 23 2 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 21 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 23 1 0 0 0 0 19 25 2 0 0 0 0 20 22 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 27 2 0 0 0 0 23 58 1 0 0 0 0 24 28 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 25 60 1 0 0 0 0 26 30 1 0 0 0 0 26 61 1 0 0 0 0 27 31 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 2 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 M END > 69985553 > 1 > 596 > 4 > 0 > 8 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFix9AAAHgAAAAAADCzBngY+xvMMFACgAzRnRACCiCAxIiAI2CA+7JgNJuLE8ZuEMCpkwBHK6Aew0LIOoAABAAASQABAAAIAACSAAAAAAAAAAA== > 2-[4-(4-indol-1-yl-1-piperidyl)butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > 2-[4-[4-(1-indolyl)-1-piperidinyl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > 2-[4-(4-indol-1-ylpiperidin-1-yl)butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > 2-[4-(4-indol-1-ylpiperidin-1-yl)butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > 2-[4-(4-indol-1-ylpiperidin-1-yl)butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > 2-[4-(4-indol-1-ylpiperidino)butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > InChI=1S/C28H37N3O2/c1-32-27-19-23-9-15-30(21-24(23)20-28(27)33-2)14-6-5-13-29-16-11-25(12-17-29)31-18-10-22-7-3-4-8-26(22)31/h3-4,7-8,10,18-20,25H,5-6,9,11-17,21H2,1-2H3 > UAKJBPURZYRPJH-UHFFFAOYSA-N > 4.7 > 447.28857743 > C28H37N3O2 > 447.6 > COC1=C(C=C2CN(CCC2=C1)CCCCN3CCC(CC3)N4C=CC5=CC=CC=C54)OC > COC1=C(C=C2CN(CCC2=C1)CCCCN3CCC(CC3)N4C=CC5=CC=CC=C54)OC > 29.9 > 447.28857743 > 0 > 33 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 19 8 15 24 8 16 23 8 19 23 8 19 25 8 21 22 8 21 26 8 22 27 8 24 28 8 25 29 8 26 30 8 27 31 8 28 29 8 30 31 8 4 15 8 4 16 8 $$$$