17756934 -OEChem-05052412442D 65 67 0 1 0 0 0 0 0999 V2000 2.0000 -5.8225 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2797 4.6974 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 5.7693 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 3.7749 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 -0.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3952 3.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 2.3681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -1.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3651 0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5876 1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5631 0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 1.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 2.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 3.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8347 4.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 4.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2686 4.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 4.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7052 5.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7080 5.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2769 4.7721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.3225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5030 0.0069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9851 0.6114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 1.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9742 2.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.7399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.4302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9540 2.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7820 1.3173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1021 2.9726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 2.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -3.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -2.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -2.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -3.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.2399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5684 3.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8868 5.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9742 6.3811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3588 6.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.4425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 15 1 0 0 0 0 5 22 1 0 0 0 0 6 16 2 0 0 0 0 7 21 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 1 0 0 0 10 15 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 26 28 2 0 0 0 0 26 59 1 0 0 0 0 27 31 2 0 0 0 0 27 32 1 0 0 0 0 28 31 1 0 0 0 0 28 60 1 0 0 0 0 29 33 1 0 0 0 0 29 61 1 0 0 0 0 30 34 2 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 M END > 17756934 > 1 > 706 > 6 > 0 > 8 > AAADceB7MYAEAAAAAAAAAAAAAAAAAAAAAAAwYAAABYAAAAABQAAAHwIAAAAADSrhmDYyAIMABACIAiFSEACCAAAkBQAIiAEIDsgKZjqB9xmXMQhkxgGYqYeYyGCOAAACIAAAAAAAAARAAAAAAAAAAAAAAA== > 4-[(1S)-1-[(3-chlorophenyl)methoxymethyl]-3-methyl-butyl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one > 4-[(2S)-1-[(3-chlorophenyl)methoxy]-4-methylpentan-2-yl]-1-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one > 4-[(2S)-1-[(3-chlorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one > 4-[(2S)-1-[(3-chlorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one > 4-[(2S)-1-[(3-chlorophenyl)methoxy]-4-methyl-pentan-2-yl]-1-[3-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-5-one > 4-[(1S)-1-[(3-chlorobenzyl)oxymethyl]-3-methyl-butyl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one > InChI=1S/C26H30ClF3N2O3/c1-18(2)13-23(17-35-16-19-5-3-8-22(27)14-19)32-12-11-31(10-9-24(32)33)25(34)20-6-4-7-21(15-20)26(28,29)30/h3-8,14-15,18,23H,9-13,16-17H2,1-2H3/t23-/m0/s1 > WBYGYBCBKFJNGN-QHCPKHFHSA-N > 5.2 > 510.1897050 > C26H30ClF3N2O3 > 511.0 > CC(C)CC(COCC1=CC(=CC=C1)Cl)N2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F > CC(C)C[C@@H](COCC1=CC(=CC=C1)Cl)N2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F > 49.8 > 510.1897050 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 5 23 25 8 23 26 8 24 29 8 24 30 8 25 27 8 26 28 8 27 31 8 28 31 8 29 33 8 30 34 8 33 35 8 34 35 8 $$$$