4109456 -OEChem-06201307542D 64 67 0 0 0 0 0 0 0999 V2000 4.5981 -4.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 -0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6810 3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 -0.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9941 0.1638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7704 1.0116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 11 2 0 0 0 0 4 14 2 0 0 0 0 5 20 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 13 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 24 1 0 0 0 0 17 44 1 0 0 0 0 18 29 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 23 2 0 0 0 0 19 47 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 21 48 1 0 0 0 0 22 28 2 0 0 0 0 22 49 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 32 1 0 0 0 0 26 33 2 0 0 0 0 27 31 2 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 36 2 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 33 59 1 0 0 0 0 34 37 1 0 0 0 0 34 60 1 0 0 0 0 35 37 2 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 M END > 4109456 > 1 > 868 > 4 > 0 > 9 > AAADceB7OAAAEAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgBAAAABrAThmAYyBoMABACIAqFSEACCCAAkIAQIiAGODOgMZj6EtTuUMWhk5hGIq5eY2OKOIAACAAAIgABAAAQAABEAAAAAAAAAAA== > N-allyl-N-[2-[benzyl-[(6-methyl-4-oxo-chromen-3-yl)methyl]amino]-2-oxo-ethyl]-2-bromo-benzamide > 2-bromo-N-[2-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl-(phenylmethyl)amino]-2-oxoethyl]-N-prop-2-enylbenzamide > N-[2-[benzyl-[(6-methyl-4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-2-bromo-N-prop-2-enylbenzamide > 2-bromanyl-N-[2-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-benzamide > N-allyl-N-[2-[benzyl-[(4-keto-6-methyl-chromen-3-yl)methyl]amino]-2-keto-ethyl]-2-bromo-benzamide > InChI=1S/C30H27BrN2O4/c1-3-15-32(30(36)24-11-7-8-12-26(24)31)19-28(34)33(17-22-9-5-4-6-10-22)18-23-20-37-27-14-13-21(2)16-25(27)29(23)35/h3-14,16,20H,1,15,17-19H2,2H3 > JDOSPNJOLJRJOF-UHFFFAOYSA-N > 5.2 > 558.115419 > C30H27BrN2O4 > 559.45038 > CC1=CC2=C(C=C1)OC=C(C2=O)CN(CC3=CC=CC=C3)C(=O)CN(CC=C)C(=O)C4=CC=CC=C4Br > CC1=CC2=C(C=C1)OC=C(C2=O)CN(CC3=CC=CC=C3)C(=O)CN(CC=C)C(=O)C4=CC=CC=C4Br > 66.9 > 558.115419 > 0 > 37 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 14 8 10 17 8 13 21 8 13 22 8 14 15 8 15 16 8 15 19 8 16 24 8 19 23 8 2 16 8 2 17 8 21 27 8 22 28 8 23 25 8 24 25 8 26 32 8 26 33 8 27 31 8 28 31 8 32 34 8 33 35 8 34 37 8 35 37 8 $$$$