16727383 -OEChem-03192404532D 45 48 0 0 0 0 0 0 0999 V2000 7.2622 -3.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7436 3.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.5154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.0154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -2.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 1.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 1.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8757 2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 2.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 2.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 3.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 2.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 0.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 -2.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -1.8483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6651 -1.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 1.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5312 -0.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -1.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 1.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 1.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5912 1.1746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 2.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5912 2.7946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 3.5511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4758 3.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 2.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 3.6046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 21 2 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 28 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 12 13 2 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 19 2 0 0 0 0 16 35 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 27 2 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END > 16727383 > 1 > 593 > 3 > 2 > 4 > AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMEAAAAAAACBUAAAHgAQAAAADAyBmAAzwILAAACIAqVSUACCAAAlAgAIiAEAZMiIIDLAlZGEIQhokQJIyacYiMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA== > 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one > 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one > 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one > 6-(3-acetylphenyl)-3-anilino-2H-isoquinolin-1-one > 6-(3-ethanoylphenyl)-3-phenylazanyl-2H-isoquinolin-1-one > 6-(3-acetylphenyl)-3-anilino-isocarbostyril > InChI=1S/C23H18N2O2/c1-15(26)16-6-5-7-17(12-16)18-10-11-21-19(13-18)14-22(25-23(21)27)24-20-8-3-2-4-9-20/h2-14H,1H3,(H2,24,25,27) > GUHQLBYKFGJDOL-UHFFFAOYSA-N > 4.4 > 354.136827821 > C23H18N2O2 > 354.4 > CC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(=O)NC(=C3)NC4=CC=CC=C4 > CC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(=O)NC(=C3)NC4=CC=CC=C4 > 58.2 > 354.136827821 > 0 > 27 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 12 13 8 15 17 8 16 19 8 17 20 8 18 22 8 18 23 8 19 20 8 22 24 8 23 25 8 24 27 8 25 27 8 3 11 8 3 14 8 5 10 8 5 6 8 5 8 8 6 12 8 6 14 8 7 13 8 7 8 8 9 15 8 9 16 8 $$$$