42917291 -OEChem-03282410132D 56 58 0 1 0 0 0 0 0999 V2000 2.5376 7.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 0.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 4.4515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0983 4.6468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6819 5.4515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 4.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 4.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 5.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 5.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 6.4515 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4200 4.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 6.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 4.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1233 4.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 5.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 4.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 7.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0983 6.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 7.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 7.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4089 7.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 8.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1520 8.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 9.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 10.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6509 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1324 3.9378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4109 6.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 5.8662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 6.7615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6176 5.5468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 4.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 4.3707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8154 3.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 3.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2909 4.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3019 5.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 7.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 7.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9982 7.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6015 7.7961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8196 7.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 9.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 9.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 10.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 11.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 10.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2524 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0495 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0949 1.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4749 0.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 0.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 26 1 0 0 0 0 2 56 1 0 0 0 0 3 11 1 0 0 0 0 3 16 2 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 39 1 0 0 0 0 5 18 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 15 1 0 0 0 0 10 17 1 0 0 0 0 10 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 23 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 M END > 42917291 > 1 > 678 > 4 > 3 > 1 > AAADceB7MAAAAAAAAAAAAAAAAAAAAQAAAAAwQIAAAAAAAECBAAAAHgAYCAAADwyhmAIzAIJiAgCoAqZyZACCAAEgAAIYqAEgANgIMDKAkRCAIAAgkAAIiUcYicCPwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > ethanol;3,7,7-trimethyl-4-(p-tolyl)-2,4,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5-one > ethanol;3,7,7-trimethyl-4-(4-methylphenyl)-2,4,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5-one > ethanol;3,7,7-trimethyl-4-(4-methylphenyl)-2,4,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5-one > ethanol;3,7,7-trimethyl-4-(4-methylphenyl)-2,4,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5-one > ethanol;3,7,7-trimethyl-4-(4-methylphenyl)-2,4,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5-one > ethanol;3,7,7-trimethyl-4-(p-tolyl)-2,4,6,8-tetrahydro-1H-pyrazolo[3,4-b]quinolin-5-one > InChI=1S/C20H23N3O.C2H6O/c1-11-5-7-13(8-6-11)17-16-12(2)22-23-19(16)21-14-9-20(3,4)10-15(24)18(14)17;1-2-3/h5-8,17H,9-10H2,1-4H3,(H2,21,22,23);3H,2H2,1H3 > LSLQTZXTQARCLT-UHFFFAOYSA-N > 367.22597718 > C22H29N3O2 > 367.5 > CCO.CC1=CC=C(C=C1)C2C3=C(NNC3=NC4=C2C(=O)CC(C4)(C)C)C > CCO.CC1=CC=C(C=C1)C2C3=C(NNC3=NC4=C2C(=O)CC(C4)(C)C)C > 73.7 > 367.22597718 > 0 > 27 > 0 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 10 17 3 17 19 8 17 20 8 19 22 8 20 23 8 22 24 8 23 24 8 $$$$