16682074 -OEChem-04162414562D 69 71 0 0 0 0 0 0 0999 V2000 6.3427 2.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6442 4.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9039 9.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 9.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0379 10.8534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1719 8.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0748 2.0370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8068 1.0369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2088 3.5370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 2.8670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0748 1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9408 2.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9408 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8068 2.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2088 2.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3078 3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7088 5.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7088 5.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0853 4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3323 4.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6729 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 3.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0948 5.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8623 3.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3228 5.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5576 3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3258 4.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0918 4.5655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 3.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 2.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 2.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 3.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0379 9.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1719 9.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4642 1.1446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8627 0.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3394 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5423 3.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5423 0.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3393 0.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4174 1.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0189 2.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8468 6.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1502 5.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2674 5.9966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5708 6.3321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3628 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2098 0.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9829 1.0739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 2.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9638 5.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7174 2.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4537 5.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 4.7506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3128 3.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6835 4.7505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9674 2.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 2.1623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0294 2.5361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 1.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 3.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 4.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 3.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 9.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7689 9.5434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 32 2 0 0 0 0 4 36 1 0 0 0 0 4 68 1 0 0 0 0 5 37 1 0 0 0 0 5 69 1 0 0 0 0 6 36 2 0 0 0 0 7 37 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 28 1 0 0 0 0 11 32 1 0 0 0 0 11 60 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 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 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 22 1 0 0 0 0 18 26 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 22 27 2 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 28 2 0 0 0 0 24 53 1 0 0 0 0 25 29 2 0 0 0 0 25 54 1 0 0 0 0 26 30 1 0 0 0 0 26 55 1 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 29 57 1 0 0 0 0 30 31 2 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 33 34 1 0 0 0 0 33 35 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 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 M END > 16682074 > 1 > 706 > 8 > 3 > 4 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAABQAAAHgAQCAAADBzhmAYzyIPABgCIAiTSWAKCAAAhAgAIiABIZImJYGLA0dGcIAholgLJyCcQgMAOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA== > isopropyl N-[11-(4-methylpiperazine-1-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;oxalic acid > N-[11-[(4-methyl-1-piperazinyl)-oxomethyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid propan-2-yl ester;oxalic acid > oxalic acid;propan-2-yl N-[11-(4-methylpiperazine-1-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate > oxalic acid;propan-2-yl N-[11-(4-methylpiperazine-1-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate > ethanedioic acid;propan-2-yl N-[11-(4-methylpiperazin-1-yl)carbonyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate > N-[11-(4-methylpiperazine-1-carbonyl)-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamic acid isopropyl ester;oxalic acid > InChI=1S/C24H30N4O3.C2H2O4/c1-17(2)31-23(29)25-20-11-10-19-9-8-18-6-4-5-7-21(18)28(22(19)16-20)24(30)27-14-12-26(3)13-15-27;3-1(4)2(5)6/h4-7,10-11,16-17H,8-9,12-15H2,1-3H3,(H,25,29);(H,3,4)(H,5,6) > JLCDLYTZZKPZEI-UHFFFAOYSA-N > 512.22709937 > C26H32N4O7 > 512.6 > CC(C)OC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)N4CCN(CC4)C)C=C1.C(=O)(C(=O)O)O > CC(C)OC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)N4CCN(CC4)C)C=C1.C(=O)(C(=O)O)O > 140 > 512.22709937 > 0 > 37 > 0 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 17 21 8 17 24 8 18 22 8 18 26 8 21 25 8 22 27 8 24 28 8 25 29 8 26 30 8 27 31 8 28 29 8 30 31 8 $$$$