71475607 -OEChem-03282420072D 52 54 0 0 0 0 0 0 0999 V2000 5.1350 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3519 -1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3519 1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8009 -1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8009 0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 2 0 0 0 0 3 19 2 0 0 0 0 4 22 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 40 1 0 0 0 0 7 11 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 15 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 23 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 M END > 71475607 > 1 > 750 > 4 > 1 > 5 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBAAAAHgAQAAAADATBmAQyAIPAAACIAqFSEACCAAAkAAAIiIGIAMgIYDKAlTCUIQAglgCIiYcZiICOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 2-methyl-3-[(E)-2-(3-oxopiperazine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione > 2-methyl-3-[(E)-2-[oxo-(3-oxo-1-piperazinyl)methyl]hex-1-enyl]naphthalene-1,4-dione > 2-methyl-3-[(E)-2-(3-oxopiperazine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione > 2-methyl-3-[(E)-2-(3-oxopiperazine-1-carbonyl)hex-1-enyl]naphthalene-1,4-dione > 2-methyl-3-[(E)-2-(3-oxidanylidenepiperazin-1-yl)carbonylhex-1-enyl]naphthalene-1,4-dione > 2-[(E)-2-(3-ketopiperazine-1-carbonyl)hex-1-enyl]-3-methyl-1,4-naphthoquinone > InChI=1S/C22H24N2O4/c1-3-4-7-15(22(28)24-11-10-23-19(25)13-24)12-18-14(2)20(26)16-8-5-6-9-17(16)21(18)27/h5-6,8-9,12H,3-4,7,10-11,13H2,1-2H3,(H,23,25)/b15-12+ > KKLGRPFZTSVBLF-NTCAYCPXSA-N > 2.7 > 380.17360725 > C22H24N2O4 > 380.4 > CCCCC(=CC1=C(C(=O)C2=CC=CC=C2C1=O)C)C(=O)N3CCNC(=O)C3 > CCCC/C(=C\C1=C(C(=O)C2=CC=CC=C2C1=O)C)/C(=O)N3CCNC(=O)C3 > 83.6 > 380.17360725 > 0 > 28 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 20 21 8 20 25 8 21 26 8 25 27 8 26 28 8 27 28 8 $$$$