70679349 -OEChem-04252412462D 68 70 0 1 0 0 0 0 0999 V2000 8.0622 -2.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.6900 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.1900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6603 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1603 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 3.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 -1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2708 -0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 0.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 3.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 0.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4703 1.5930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6233 1.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2803 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 19 2 0 0 0 0 3 20 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 46 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 7 20 1 0 0 0 0 7 22 1 0 0 0 0 7 53 1 0 0 0 0 8 10 1 6 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 6 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 21 23 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 59 1 0 0 0 0 27 29 1 0 0 0 0 27 60 1 0 0 0 0 28 29 2 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 M END > 70679349 > 1 > 627 > 4 > 2 > 7 > AAADcfB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABAAAAHgIQAAAADYrBkCQywIPAAACIACVSUACCAAAhBwAIiIGIZogIYDrB07HUIAhglgDIyAcYAQAMAAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]methyl]-N-isopentyl-piperidine-3-carboxamide > (3S,5R)-5-[[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]methyl]-N-(3-methylbutyl)-3-piperidinecarboxamide > (3S,5R)-5-[[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl]-N-(3-methylbutyl)piperidine-3-carboxamide > (3S,5R)-5-[[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl]-N-(3-methylbutyl)piperidine-3-carboxamide > (3S,5R)-5-[[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]methyl]-N-(3-methylbutyl)piperidine-3-carboxamide > (3S,5R)-5-[[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]methyl]-N-isoamyl-nipecotamide > InChI=1S/C24H37ClN4O2/c1-17(2)9-10-27-23(31)19-11-18(12-26-13-19)14-28-15-22(30)29(16-24(28,3)4)21-8-6-5-7-20(21)25/h5-8,17-19,26H,9-16H2,1-4H3,(H,27,31)/t18-,19+/m1/s1 > XGYKQWJDBJCEAW-MOPGFXCFSA-N > 3.3 > 448.2605041 > C24H37ClN4O2 > 449.0 > CC(C)CCNC(=O)C1CC(CNC1)CN2CC(=O)N(CC2(C)C)C3=CC=CC=C3Cl > CC(C)CCNC(=O)[C@H]1C[C@H](CNC1)CN2CC(=O)N(CC2(C)C)C3=CC=CC=C3Cl > 64.7 > 448.2605041 > 0 > 31 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 20 6 21 23 8 21 24 8 23 27 8 24 28 8 27 29 8 28 29 8 8 10 6 $$$$