34 36 0 0000 0 0 0 0 0999 V2000 16.1014 -3.9932 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 16.1014 -6.6499 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 6.8592 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 8.0507 -4.6533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 16.1014 -0.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 11.5125 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 11.5125 -3.9932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 12.6396 -1.9966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 6.8592 -2.6567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.3347 -3.9932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 10.3049 -1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.3049 -0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.5125 -2.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0507 -1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0507 -0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.1778 -2.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.1778 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.6396 -4.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.6396 -0.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.7667 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8592 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 12.6396 -5.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9743 -4.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 14.9743 -5.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 13.7667 -6.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7160 -4.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7160 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5889 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4618 -4.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3347 -2.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1915 -4.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1915 -1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 2 24 1 0 3 15 1 0 3 27 1 0 4 21 2 0 6 12 1 0 6 19 2 0 7 13 1 0 7 18 1 0 8 13 2 0 8 19 1 0 9 14 1 0 9 21 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 12 2 0 11 13 1 0 11 16 1 0 12 17 1 0 14 15 1 0 14 16 2 0 15 17 2 0 18 20 2 0 18 22 1 0 20 23 1 0 21 26 1 0 22 25 2 0 23 24 2 0 24 25 1 0 26 28 2 0 28 29 1 0 30 32 1 0 31 33 1 0 32 34 1 0 33 34 1 0 M END > InChI=1S/C24H25ClFN5O2.H2O/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31;/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29);1H2/b6-5+; > BSPLGGCPNTZPIH-IPZCTEOASA-N > 1/1/N:27,34,32,33,28,26,22,25,30,31,29,20,16,17,19,18,11,23,24,12,14,15,21,13,1,2,6,8,7,9,10,4,3;5/E:(3,4)(9,10);/rA:34nClFOOONNNNNCCCCCCCCCCCCCCCCCCCCCCCC/rB:;;;;;;;;;;s6d11;s7d8s11;s9;s3s14;s11d14;s12d15;s7;d6s8;d18;d4s9;s18;s1s20;s2d23;d22s24;s21;s3;d26;s10s28;s10;s10;s30;s31;s32s33;/rC:16.1014,-3.9932,0;16.1014,-6.6499,0;6.8592,0,0;8.0507,-4.6533,0;16.1014,-.5313,0;11.5125,0,0;11.5125,-3.9932,0;12.6396,-1.9966,0;6.8592,-2.6567,0;2.3347,-3.9932,0;10.3049,-1.9966,0;10.3049,-.6602,0;11.5125,-2.6567,0;8.0507,-1.9966,0;8.0507,-.6602,0;9.1778,-2.6567,0;9.1778,0,0;12.6396,-4.6533,0;12.6396,-.6602,0;13.7667,-3.9932,0;6.8592,-3.9932,0;12.6396,-5.9897,0;14.9743,-4.6533,0;14.9743,-5.9897,0;13.7667,-6.6499,0;5.716,-4.6533,0;5.716,-.5958,0;4.5889,-3.9932,0;3.4618,-4.6533,0;2.3347,-2.6567,0;1.1915,-4.6533,0;1.1915,-1.9966,0;0,-3.9932,0;0,-2.6567,0; > C24 H27 Cl F N5 O3 > 487.9543 > ClC1=C(C=CC(=C1)NC1C2C=C(C(=CC=2N=CN=1)OC)NC(/C=C/CN1CCCCC1)=O)F.O > 25991414 $$$$