54753271 -OEChem-06201304272D 65 69 0 1 0 0 0 0 0999 V2000 13.3967 -3.9528 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.4320 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.7263 0.9153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 0.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 2.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6356 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3006 0.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8255 -0.0738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7965 -0.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9499 2.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1965 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2799 0.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5942 1.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6029 -2.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1903 -1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0029 -2.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5903 -2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9966 -3.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0089 2.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 3.0573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8618 0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6589 0.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 0.4483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 0.4391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8856 3.4664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 3.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5305 1.8987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7334 1.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5939 0.4485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3909 0.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 1.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4655 1.8951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3624 -0.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5376 2.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6921 0.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1241 3.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2013 1.8473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9867 -1.9387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5584 -0.8162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 3.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6348 -3.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2064 -2.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 21 1 0 0 0 0 2 30 1 0 0 0 0 3 22 1 0 0 0 0 3 31 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 10 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 11 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 13 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 21 1 0 0 0 0 15 49 1 0 0 0 0 16 22 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 20 1 0 0 0 0 18 25 2 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 28 32 1 0 0 0 0 28 56 1 0 0 0 0 29 33 2 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 34 2 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 M END > 54753271 > 1 > 627 > 4 > 0 > 8 > AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFix9AAAHwAAAAAADAzBng4+xvMMFACgAzRnRACCiCAxIiAI2CA+7JgNJuLEsZuEMCpkwBHK6Aew0PIOoAABAAASQABAAAIAACSAAAAAAAAAAA== > 2-[4-[3-(4-fluorophenyl)indol-1-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > 2-[4-[3-(4-fluorophenyl)-1-indolyl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > 2-[4-[3-(4-fluorophenyl)indol-1-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > 2-[4-[3-(4-fluorophenyl)indol-1-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > 2-[4-[3-(4-fluorophenyl)indol-1-yl]butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline > InChI=1S/C29H31FN2O2/c1-33-28-17-22-13-16-31(19-23(22)18-29(28)34-2)14-5-6-15-32-20-26(21-9-11-24(30)12-10-21)25-7-3-4-8-27(25)32/h3-4,7-12,17-18,20H,5-6,13-16,19H2,1-2H3 > SAUWBVJOXSKPQX-UHFFFAOYSA-N > 5.9 > 458.236956 > C29H31FN2O2 > 458.567043 > COC1=C(C=C2CN(CCC2=C1)CCCCN3C=C(C4=CC=CC=C43)C5=CC=C(C=C5)F)OC > COC1=C(C=C2CN(CCC2=C1)CCCCN3C=C(C4=CC=CC=C43)C5=CC=C(C=C5)F)OC > 26.6 > 458.236956 > 0 > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 11 12 8 11 15 8 12 16 8 15 21 8 16 22 8 17 18 8 17 23 8 18 20 8 18 25 8 19 20 8 21 22 8 23 26 8 24 28 8 24 29 8 25 27 8 26 27 8 28 32 8 29 33 8 32 34 8 33 34 8 5 17 8 5 19 8 $$$$