11574585 -OEChem-03292403282D 47 50 0 1 0 0 0 0 0999 V2000 8.0102 2.1992 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.5712 -2.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -0.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3836 -1.6440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8836 0.5467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4979 -2.8053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5071 -0.2351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2846 -1.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4826 -1.2101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2601 -0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8836 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9697 -1.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4820 -0.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5196 -2.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7301 -1.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2696 0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4497 1.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5006 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7324 -1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9609 -1.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 2.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4525 1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 3.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 2.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 3.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5624 -2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1727 -3.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5918 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7119 0.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6200 -0.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0865 0.1253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3441 0.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0722 -3.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -2.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1386 0.6932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2795 -2.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1033 1.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 3.6871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4004 2.4697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 3.8082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1118 -2.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3748 -1.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6816 -3.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5512 -3.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6639 -2.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 20 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 12 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 6 0 0 0 7 30 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 20 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 37 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 29 3 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M END > 11574585 > 1 > 702 > 5 > 0 > 5 > AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAABAAAAACB0AAAHwAAAAAADCjhng432JcMFADoGyTzbAyCgC03EqAJ2AG4fNiKbvrA+bmXMYhugALY6We8gMAOCAACAAACAAAQAAQAAAQAAAAAAAAAAA== > ethyl (4R)-8-ethynyl-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate > (4R)-8-ethynyl-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester > ethyl (4R)-8-ethynyl-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate > ethyl (4R)-8-ethynyl-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate > ethyl (4R)-8-ethynyl-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate > (4R)-8-ethynyl-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester > InChI=1S/C23H18FN3O2/c1-4-15-10-11-19-17(12-15)20(16-8-6-7-9-18(16)24)26-14(3)22-21(23(28)29-5-2)25-13-27(19)22/h1,6-14H,5H2,2-3H3/t14-/m1/s1 > NGYKELBMVXBFSM-CQSZACIVSA-N > 4.1 > 387.13830499 > C23H18FN3O2 > 387.4 > CCOC(=O)C1=C2C(N=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=C4F)C > CCOC(=O)C1=C2[C@H](N=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=C4F)C > 56.5 > 387.13830499 > 0 > 29 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 10 16 8 15 19 8 16 18 8 17 21 8 17 22 8 18 19 8 21 23 8 22 24 8 23 25 8 24 25 8 4 14 8 4 8 8 6 12 8 6 14 8 7 13 6 8 12 8 9 10 8 9 15 8 $$$$