60527000 -OEChem-05092403332D 60 64 0 0 0 0 0 0 0999 V2000 13.3263 0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 2.7694 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.3263 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 1.7694 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9962 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9603 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9603 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6512 -1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2693 -1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -1.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 -1.1229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 0.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 0.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 -2.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 -2.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0521 0.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 -0.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3538 -2.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0251 -3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8955 -3.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5667 -2.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3412 -1.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0848 -2.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8357 -2.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5793 -1.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -2.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -2.2055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -0.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3252 1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 2.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.3852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.1023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 30 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 8 25 1 0 0 0 0 8 28 1 0 0 0 0 8 56 1 0 0 0 0 9 25 2 0 0 0 0 9 30 1 0 0 0 0 10 26 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 53 1 0 0 0 0 24 27 2 0 0 0 0 24 54 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 29 30 1 0 0 0 0 29 32 2 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 M CHG 2 2 -1 10 1 M END > 60527000 > 1 > 815 > 6 > 1 > 4 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8YIEAAAAAAACBQAAAHgAUAAAADAjBmAQxwIPQQACpAidydwCCAAElAgApiAEYZMoIYDrA3ZGUIYhglgDIyccciACOAACAQAACAAAAAQCAAAQAAAAAAAAAAA== > 2-[[4-[4-nitro-3-(pyrrolidine-1-carbonyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one > 2-[[4-[4-nitro-3-[oxo(1-pyrrolidinyl)methyl]phenyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one > 2-[[4-[4-nitro-3-(pyrrolidine-1-carbonyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one > 2-[[4-[4-nitro-3-(pyrrolidine-1-carbonyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one > 2-[[4-(4-nitro-3-pyrrolidin-1-ylcarbonyl-phenyl)piperazin-1-yl]methyl]-1H-quinazolin-4-one > 2-[[4-[4-nitro-3-(pyrrolidine-1-carbonyl)phenyl]piperazino]methyl]-1H-quinazolin-4-one > InChI=1S/C24H26N6O4/c31-23-18-5-1-2-6-20(18)25-22(26-23)16-27-11-13-28(14-12-27)17-7-8-21(30(33)34)19(15-17)24(32)29-9-3-4-10-29/h1-2,5-8,15H,3-4,9-14,16H2,(H,25,26,31) > SBSMQTAPJLCCNG-UHFFFAOYSA-N > 2.1 > 462.20155333 > C24H26N6O4 > 462.5 > C1CCN(C1)C(=O)C2=C(C=CC(=C2)N3CCN(CC3)CC4=NC(=O)C5=CC=CC=C5N4)[N+](=O)[O-] > C1CCN(C1)C(=O)C2=C(C=CC(=C2)N3CCN(CC3)CC4=NC(=O)C5=CC=CC=C5N4)[N+](=O)[O-] > 114 > 462.20155333 > 0 > 34 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 23 8 19 24 8 22 23 8 22 26 8 24 27 8 26 27 8 28 29 8 28 31 8 29 30 8 29 32 8 31 33 8 32 34 8 33 34 8 8 25 8 8 28 8 9 25 8 9 30 8 $$$$