23727689 -OEChem-05062408522D 68 71 0 1 0 0 0 0 0999 V2000 3.6641 -3.7621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -4.7621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 -3.7621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.2379 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1282 0.2379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.7379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3961 3.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.7379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6641 3.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 3.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 3.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 3.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 3.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7981 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -2.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 4.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 1.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 3.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 3.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7422 0.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1407 0.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 4.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 4.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 1.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 0.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 0.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 1.0833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 4.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5913 3.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 0.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2611 -0.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -0.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 4.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 1.9279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 3.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2611 -2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0671 -2.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5082 -0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7482 -0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 0.7114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 0.0938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 0.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 4.7597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 5.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 4.7645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 21 1 0 0 0 0 4 35 1 0 0 0 0 5 22 1 0 0 0 0 5 36 1 0 0 0 0 6 20 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 20 1 0 0 0 0 8 31 1 0 0 0 0 8 52 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 1 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 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 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 6 0 0 0 14 45 1 0 0 0 0 15 19 2 0 0 0 0 16 23 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 21 1 0 0 0 0 17 48 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 22 1 0 0 0 0 19 49 1 0 0 0 0 21 22 2 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 50 1 0 0 0 0 25 29 2 0 0 0 0 25 51 1 0 0 0 0 26 32 1 0 0 0 0 26 53 1 0 0 0 0 27 33 2 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 34 2 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 37 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 M END > 23727689 > 1 > 722 > 7 > 1 > 8 > AAADceB7MYAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACxUAAAHwAQAAAADCzBmBYyBoPABACIAiFSEACCCAAgIAAIiIGOjIgNZjKEtTuUMCpk0hGKqAe42POO4AABAAAQQADAAAIAACCAAAAAAAAAAA== > (2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenyl-acetamide > (2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide > (2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide > (2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide > (2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenyl-ethanamide > (2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenyl-acetamide > InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27+/m0/s1 > DKMACHNQISHMDN-RPLLCQBOSA-N > 6 > 512.22867734 > C29H31F3N2O3 > 512.6 > CNC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC > CNC(=O)[C@@H](C1=CC=CC=C1)N2CCC3=CC(=C(C=C3[C@@H]2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC > 50.8 > 512.22867734 > 0 > 37 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 8 11 17 8 14 20 6 15 19 8 17 21 8 18 24 8 18 25 8 19 22 8 21 22 8 23 26 8 23 27 8 24 28 8 25 29 8 26 32 8 27 33 8 28 30 8 29 30 8 32 34 8 33 34 8 9 12 5 $$$$