70262508 -OEChem-04252404402D 66 69 0 1 0 0 0 0 0999 V2000 13.9292 -2.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9292 -2.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 2.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6613 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1613 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.4330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.0632 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2229 3.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7690 2.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2439 3.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6362 4.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6863 4.3315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 2.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8512 0.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4526 -0.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -1.3961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 -2.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 4 13 2 0 0 0 0 5 30 2 0 0 0 0 6 38 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 44 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 60 1 0 0 0 0 9 38 1 0 0 0 0 9 65 1 0 0 0 0 9 66 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 14 21 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 2 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 24 1 0 0 0 0 21 53 1 0 0 0 0 22 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 33 61 1 0 0 0 0 34 37 2 0 0 0 0 34 62 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 M END > 70262508 > 1 > 996 > 6 > 3 > 8 > AAADceB7MYAAAAAAAAAAAAAAGAAAAAAAAAAwYIAAAAAAAAABQAAAHwAQAAAADSjBmBQyAILAAACIAiFSEACCAAAkAAAIiIEIBMgIIDKAlRGEIQhglgCIiYcYiACOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 4-[[[4-[(E)-3-(cyclopropylamino)-2-[5-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3-oxo-prop-1-enyl]benzoyl]amino]methyl]benzamide > 4-[[[[4-[(E)-3-(cyclopropylamino)-2-[5-methyl-4-(trifluoromethyl)-1-cyclohexa-1,3-dienyl]-3-oxoprop-1-enyl]phenyl]-oxomethyl]amino]methyl]benzamide > 4-[[[4-[(E)-3-(cyclopropylamino)-2-[5-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3-oxoprop-1-enyl]benzoyl]amino]methyl]benzamide > 4-[[[4-[(E)-3-(cyclopropylamino)-2-[5-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3-oxoprop-1-enyl]benzoyl]amino]methyl]benzamide > 4-[[[4-[(E)-3-(cyclopropylamino)-2-[5-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-3-oxidanylidene-prop-1-enyl]phenyl]carbonylamino]methyl]benzamide > 4-[[[4-[(E)-3-(cyclopropylamino)-3-keto-2-[5-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]prop-1-enyl]benzoyl]amino]methyl]benzamide > InChI=1S/C29H28F3N3O3/c1-17-14-22(10-13-25(17)29(30,31)32)24(28(38)35-23-11-12-23)15-18-2-8-21(9-3-18)27(37)34-16-19-4-6-20(7-5-19)26(33)36/h2-10,13,15,17,23H,11-12,14,16H2,1H3,(H2,33,36)(H,34,37)(H,35,38)/b24-15+ > SXRXBHUEPMHBJF-BUVRLJJBSA-N > 4 > 523.20827625 > C29H28F3N3O3 > 523.5 > CC1CC(=CC=C1C(F)(F)F)C(=CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N)C(=O)NC4CC4 > CC1CC(=CC=C1C(F)(F)F)/C(=C\C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N)/C(=O)NC4CC4 > 101 > 523.20827625 > 0 > 38 > 0 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 15 20 3 24 25 8 24 26 8 25 27 8 26 28 8 27 29 8 28 29 8 32 33 8 32 34 8 33 36 8 34 37 8 35 36 8 35 37 8 $$$$