69345872 -OEChem-05042401542D 44 46 0 1 0 0 0 0 0999 V2000 2.0000 0.0942 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.2718 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.4602 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -1.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 0.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.3816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -2.4404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7166 2.1284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.3750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8564 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -1.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 -2.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 -0.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 -1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3960 -0.0629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6421 1.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2462 0.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1258 0.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1963 -2.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5899 0.2517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -2.2387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6024 -2.9882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -0.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0022 -2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2524 2.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1785 2.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 12 2 0 0 0 0 5 19 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 0 0 0 0 7 18 2 0 0 0 0 7 22 1 0 0 0 0 8 19 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 13 22 2 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 15 23 1 0 0 0 0 15 33 1 0 0 0 0 16 24 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 25 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 26 1 0 0 0 0 21 28 1 0 0 0 0 22 37 1 0 0 0 0 23 27 2 0 0 0 0 23 39 1 0 0 0 0 24 27 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 M END > 69345872 > 1 > 563 > 6 > 2 > 5 > AAADceB7MYAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHwAQAAAADQjBnhQ8wPLIEACoAzV3VACCgCAxEiAI2CE4dJgIYPLAlZGUIAhglADIyAcdiMCOiAACAAACAAAQAAQAAAQAAAAAAAAAAA== > (2R)-2-phenyl-N-[6-(trifluoromethyl)-3-quinolyl]butanediamide > (2R)-2-phenyl-N-[6-(trifluoromethyl)-3-quinolinyl]butanediamide > (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide > (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide > (2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide > (2R)-2-phenyl-N-[6-(trifluoromethyl)-3-quinolyl]succinamide > InChI=1S/C20H16F3N3O2/c21-20(22,23)14-6-7-17-13(8-14)9-15(11-25-17)26-19(28)16(10-18(24)27)12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H2,24,27)(H,26,28)/t16-/m1/s1 > NTQYLDYAAPGRMS-MRXNPFEDSA-N > 2.7 > 387.11946125 > C20H16F3N3O2 > 387.4 > C1=CC=C(C=C1)C(CC(=O)N)C(=O)NC2=CN=C3C=CC(=CC3=C2)C(F)(F)F > C1=CC=C(C=C1)[C@@H](CC(=O)N)C(=O)NC2=CN=C3C=CC(=CC3=C2)C(F)(F)F > 85.1 > 387.11946125 > 0 > 28 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 8 11 16 8 13 17 8 13 22 8 14 17 8 14 18 8 14 20 8 15 23 8 16 24 8 18 25 8 20 21 8 21 26 8 23 27 8 24 27 8 25 26 8 7 18 8 7 22 8 9 10 6 $$$$