53299651 -OEChem-03282417472D 41 44 0 1 0 0 0 0 0999 V2000 7.2622 3.2817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 0.2872 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5301 1.2817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3448 0.0793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 3.2817 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1757 1.6884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8448 0.9453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6236 -0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 2.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8315 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 3.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 2.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7825 -1.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2962 -3.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9904 -2.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2473 -3.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 0.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -0.6142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 3.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 -0.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 1.7933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.9455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 0.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 3.8416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 3.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 2.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4987 -1.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2433 -1.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8355 -3.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5801 -2.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3762 -3.9228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 10 2 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 30 1 0 0 0 0 5 11 2 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 8 15 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 2 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 14 1 0 0 0 0 12 16 2 0 0 0 0 12 19 1 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END > 53299651 > 1 > 792 > 6 > 1 > 2 > AAADceB7oAAAAAAAAAAAAAAAAAAAAQAAAAAwQIAAAAAAAACBAAAAHgAYAAAADAjBmAQzAIICAACqAyVyVACCAAAgAAAcqAC4BNiIYCKAkRGEIAhggAIIiEcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3E)-3-(1-benzyl-2H-tetrazol-5-ylidene)-6,7-dimethyl-quinoxalin-2-one > (3E)-6,7-dimethyl-3-[1-(phenylmethyl)-2H-tetrazol-5-ylidene]-2-quinoxalinone > (3E)-3-(1-benzyl-2H-tetrazol-5-ylidene)-6,7-dimethylquinoxalin-2-one > (3E)-3-(1-benzyl-2H-tetrazol-5-ylidene)-6,7-dimethylquinoxalin-2-one > (3E)-6,7-dimethyl-3-[1-(phenylmethyl)-2H-1,2,3,4-tetrazol-5-ylidene]quinoxalin-2-one > (3E)-3-(1-benzyl-2H-tetrazol-5-ylidene)-6,7-dimethyl-quinoxalin-2-one > InChI=1S/C18H16N6O/c1-11-8-14-15(9-12(11)2)20-18(25)16(19-14)17-21-22-23-24(17)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,21,23)/b17-16- > JZPMUCZSAZGZME-MSUUIHNZSA-N > 2.5 > 332.13855916 > C18H16N6O > 332.4 > CC1=CC2=NC(=C3N=NNN3CC4=CC=CC=C4)C(=O)N=C2C=C1C > CC1=CC2=N/C(=C\3/N=NNN3CC4=CC=CC=C4)/C(=O)N=C2C=C1C > 81.8 > 332.13855916 > 0 > 25 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 16 8 11 17 8 12 14 8 12 16 8 14 17 8 15 21 8 15 22 8 21 23 8 22 24 8 23 25 8 24 25 8 $$$$