57345718 -OEChem-05112406062D 64 67 0 1 0 0 0 0 0999 V2000 2.0000 0.2541 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.1661 -0.3419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3886 -3.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5622 0.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1911 -2.3663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5788 0.0684 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.8303 0.5692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6558 4.0790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1911 -0.5644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7572 -1.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5676 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5676 -3.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1661 -2.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9479 -0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9479 -1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5788 -2.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 -4.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9553 0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8418 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2135 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8418 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9665 0.7012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7479 -0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7479 -1.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6011 -0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 1.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6905 1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 -0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9888 0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6789 2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8071 2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5391 2.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7956 3.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5275 3.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3959 0.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2725 -1.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2725 -1.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1121 0.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3702 0.8052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1807 -3.2406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6712 -2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9657 -2.9067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4864 -3.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3558 -4.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1595 -4.6562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5101 -3.8525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4998 1.1468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7579 1.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6363 -0.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -1.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7906 -1.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8347 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2836 -0.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2836 -2.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2898 0.8730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9877 -0.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5695 2.0602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3858 -0.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9676 1.8187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2738 2.2529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0796 2.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2551 3.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0608 3.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 13 2 0 0 0 0 4 27 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 7 19 1 0 0 0 0 7 27 1 0 0 0 0 7 56 1 0 0 0 0 8 34 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 6 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 22 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 23 2 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 24 2 0 0 0 0 21 53 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 25 28 1 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 31 1 0 0 0 0 28 30 2 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 61 1 0 0 0 0 33 35 2 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 M END > 57345718 > 1 > 709 > 5 > 1 > 7 > AAADceB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAAAB0AAAHgIQAAAADD7hmiY+xpPIFACoAjV3VACCiCA1JyAI2CE9btgOJnbF95uHOWjm9hHY6YecyCCOBAAAQAAIEAAIAACAABAgAAAAAAAAAA== > N-[(2S)-2-[[(4-chlorophenyl)methyl-methyl-amino]methyl]-4-isopropyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-9-yl]pyridine-4-carboxamide > N-[(2S)-2-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-oxo-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-9-yl]-4-pyridinecarboxamide > N-[(2S)-2-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-oxo-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-9-yl]pyridine-4-carboxamide > N-[(2S)-2-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-oxo-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-9-yl]pyridine-4-carboxamide > N-[(2S)-2-[[(4-chlorophenyl)methyl-methyl-amino]methyl]-5-oxidanylidene-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-9-yl]pyridine-4-carboxamide > N-[(2S)-2-[[(4-chlorobenzyl)-methyl-amino]methyl]-4-isopropyl-5-keto-2,3-dihydro-1,4-benzoxazepin-9-yl]isonicotinamide > InChI=1S/C27H29ClN4O3/c1-18(2)32-17-22(16-31(3)15-19-7-9-21(28)10-8-19)35-25-23(27(32)34)5-4-6-24(25)30-26(33)20-11-13-29-14-12-20/h4-14,18,22H,15-17H2,1-3H3,(H,30,33)/t22-/m0/s1 > MUAXAJFOTFKVOA-QFIPXVFZSA-N > 3.9 > 492.1928185 > C27H29ClN4O3 > 493.0 > CC(C)N1CC(OC2=C(C1=O)C=CC=C2NC(=O)C3=CC=NC=C3)CN(C)CC4=CC=C(C=C4)Cl > CC(C)N1C[C@@H](OC2=C(C1=O)C=CC=C2NC(=O)C3=CC=NC=C3)CN(C)CC4=CC=C(C=C4)Cl > 74.8 > 492.1928185 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 15 8 14 19 8 15 21 8 19 23 8 21 24 8 22 25 8 22 26 8 23 24 8 25 28 8 26 29 8 28 30 8 29 30 8 31 32 8 31 33 8 32 34 8 33 35 8 8 34 8 8 35 8 9 11 6 $$$$