2554 Marvin 12300703363D 30 32 0 0 0 0 999 V2000 -2.1376 -0.6478 -1.9993 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 0.1185 -0.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5004 1.2751 -2.3122 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1814 1.1021 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -1.0334 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 0.9041 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3774 -1.8933 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2037 -0.3470 -0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6763 -1.5598 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 2.4089 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 -1.4565 0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 2.0418 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1697 -3.1795 1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4291 0.2422 -1.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5323 3.5202 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1919 -2.7334 1.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9186 3.3387 0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1012 -3.6068 1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 -0.3584 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3236 -2.3144 -0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3284 2.5748 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8249 -0.8449 0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4599 1.9562 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9403 -3.8443 1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1477 4.4598 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1178 -3.0335 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 4.1462 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 -4.5481 1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0648 1.2737 -3.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9931 2.0386 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END > 10 15 8 11 16 8 12 17 8 13 18 8 15 17 8 16 18 8 4 10 8 4 6 8 5 11 8 5 7 8 6 12 8 7 13 8 > InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18) > FFGPTBGBLSHEPO-UHFFFAOYSA-N > 1/1/N:17,18,15,16,12,13,10,11,8,9,6,7,4,5,14,3,2,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nONNCCCCCCCCCCCCCCCHHHHHHHHHHHH/rB:;;s2;s2;s4;s5;s6;s7d8;d4;d5;d6;d7;d1s2s3;s10;s11;s12d15;s13d16;s8;s9;s10;s11;s12;s13;s15;s16;s17;s18;s3;s3;/rC:-2.1376,-.6478,-1.9993;-.687,.1185,-.431;-1.5004,1.2751,-2.3122;.1814,1.1021,-.0883;-.747,-1.0334,.2843;1.5937,.9041,-.067;.3774,-1.8933,.4615;2.2037,-.347,-.1563;1.6763,-1.5598,.078;-.3206,2.4089,.1558;-2.0068,-1.4565,.7888;2.439,2.0418,.0295;.1697,-3.1795,1.0284;-1.4291,.2422,-1.5424;.5323,3.5202,.2579;-2.1919,-2.7334,1.3429;1.9186,3.3387,.1648;-1.1012,-3.6068,1.4453;3.1732,-.3584,-.3941;2.3236,-2.3144,-.0145;-1.3284,2.5748,.2195;-2.8249,-.8449,.7241;3.4599,1.9562,.0012;.9403,-3.8443,1.1481;.1477,4.4598,.3814;-3.1178,-3.0335,1.6572;2.5458,4.1462,.2018;-1.2318,-4.5481,1.8241;-2.0648,1.2737,-3.0585;-.9931,2.0386,-2.131; > C15 H12 N2 O > 236.2686 > O=C(N([H])[H])N1C2=C([H])C([H])=C([H])C([H])=C2C([H])=C([H])C2=C([H])C([H])=C([H])C([H])=C12 > 2457 $$$$