60182255 -OEChem-03282405112D 49 52 0 1 0 0 0 0 0999 V2000 6.3981 -3.1246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6521 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8718 -3.1488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.8754 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6301 3.0660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.6246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.1246 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.1488 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2292 1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0311 1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0066 2.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2536 2.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6301 3.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -1.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 -0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -2.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 -0.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -3.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -2.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -3.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -3.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6092 1.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0912 0.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1690 0.7048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6511 1.3093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6201 2.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4480 2.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3422 -0.7072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7407 -0.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8122 2.0152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6402 2.7689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7681 3.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0715 3.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8991 3.6246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -2.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -3.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 -0.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -1.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -4.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 -3.4346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 8 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 41 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 7 15 2 0 0 0 0 7 18 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 42 1 0 0 0 0 21 25 2 0 0 0 0 21 43 1 0 0 0 0 22 26 1 0 0 0 0 22 44 1 0 0 0 0 23 27 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 2 2 -1 8 1 M END > 60182255 > 1 > 614 > 6 > 1 > 3 > AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAABYAAAACBQAAAHgAUAAAADAjBmAQxwIPQQACpAidydwCCAAElAgApiIEYZMoIYDrA3ZGUIYhglADIyccciACOAACAQAACAAAAAQCAAAQAAAAAAAAAAA== > 2-(1,4-diazepan-1-ylmethyl)-6-nitro-3-phenyl-quinazolin-4-one > 2-(1,4-diazepan-1-ylmethyl)-6-nitro-3-phenyl-4-quinazolinone > 2-(1,4-diazepan-1-ylmethyl)-6-nitro-3-phenylquinazolin-4-one > 2-(1,4-diazepan-1-ylmethyl)-6-nitro-3-phenylquinazolin-4-one > 2-(1,4-diazepan-1-ylmethyl)-6-nitro-3-phenyl-quinazolin-4-one > 2-(1,4-diazepan-1-ylmethyl)-6-nitro-3-phenyl-quinazolin-4-one > InChI=1S/C20H21N5O3/c26-20-17-13-16(25(27)28)7-8-18(17)22-19(14-23-11-4-9-21-10-12-23)24(20)15-5-2-1-3-6-15/h1-3,5-8,13,21H,4,9-12,14H2 > QITBSOFNNFDPPY-UHFFFAOYSA-N > 2 > 379.16443955 > C20H21N5O3 > 379.4 > C1CNCCN(C1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4 > C1CNCCN(C1)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4 > 93.8 > 379.16443955 > 0 > 28 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 17 8 17 18 8 17 20 8 18 21 8 19 22 8 19 23 8 20 24 8 21 25 8 22 26 8 23 27 8 24 25 8 26 28 8 27 28 8 6 15 8 6 16 8 7 15 8 7 18 8 $$$$