51070119 -OEChem-04242404402D 64 66 0 0 0 0 0 0 0999 V2000 6.0703 0.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 4.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9616 1.9491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1473 -3.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8794 -4.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 2.9672 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 4.0898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.5762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3793 1.2446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1482 3.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 3.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 3.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1427 3.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 3.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9671 2.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 1.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5494 2.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7305 4.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6884 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8794 -0.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8794 -1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5440 2.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 4.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0133 -1.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1317 3.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7454 -1.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0133 -2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8794 -3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7454 -2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2813 -2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7454 -4.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3191 4.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5909 4.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9643 2.9217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6091 2.4532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4059 2.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1341 3.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7532 3.9812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 3.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 4.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1850 2.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4783 5.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2780 0.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 3.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 2.7456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 2.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 1.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 1.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 1.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7961 2.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0894 4.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4764 -1.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7483 3.3978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2823 -1.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2823 -3.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5913 -2.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7443 -2.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9713 -3.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4354 -5.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2823 -5.1043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0554 -4.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 21 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 5 31 1 0 0 0 0 5 34 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 43 1 0 0 0 0 8 13 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 17 2 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 16 17 1 0 0 0 0 17 20 1 0 0 0 0 18 25 1 0 0 0 0 18 44 1 0 0 0 0 19 26 2 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 27 2 0 0 0 0 22 29 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 28 2 0 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 30 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 29 32 2 0 0 0 0 29 57 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 M END > 51070119 > 1 > 643 > 7 > 1 > 11 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAUAAAADAzBngYyhpPQBACpA6VyUgCCCAAmIgAomKG+7NoNZjqEtbuUMapm1hmK6cf/7LzOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > N-benzyl-5-(3,4-dimethoxyphenyl)-N-[2-[2-(dimethylamino)ethylamino]-2-oxo-ethyl]isoxazole-3-carboxamide > 5-(3,4-dimethoxyphenyl)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-(phenylmethyl)-3-isoxazolecarboxamide > N-benzyl-5-(3,4-dimethoxyphenyl)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,2-oxazole-3-carboxamide > N-benzyl-5-(3,4-dimethoxyphenyl)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,2-oxazole-3-carboxamide > 5-(3,4-dimethoxyphenyl)-N-[2-[2-(dimethylamino)ethylamino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)-1,2-oxazole-3-carboxamide > N-benzyl-5-(3,4-dimethoxyphenyl)-N-[2-[2-(dimethylamino)ethylamino]-2-keto-ethyl]isoxazole-3-carboxamide > InChI=1S/C25H30N4O5/c1-28(2)13-12-26-24(30)17-29(16-18-8-6-5-7-9-18)25(31)20-15-22(34-27-20)19-10-11-21(32-3)23(14-19)33-4/h5-11,14-15H,12-13,16-17H2,1-4H3,(H,26,30) > WHQBHWHXTMIUFX-UHFFFAOYSA-N > 2.6 > 466.22162007 > C25H30N4O5 > 466.5 > CN(C)CCNC(=O)CN(CC1=CC=CC=C1)C(=O)C2=NOC(=C2)C3=CC(=C(C=C3)OC)OC > CN(C)CCNC(=O)CN(CC1=CC=CC=C1)C(=O)C2=NOC(=C2)C3=CC(=C(C=C3)OC)OC > 97.1 > 466.22162007 > 0 > 34 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 21 8 1 9 8 14 18 8 14 19 8 17 20 8 18 25 8 19 26 8 20 21 8 22 27 8 22 29 8 25 28 8 26 28 8 27 30 8 29 32 8 30 31 8 31 32 8 9 17 8 $$$$