25 28 0 0001 0 0 0 0 0999 V2000 6.5235 -8.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.4497 -10.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.4253 -6.7334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.5288 -12.3413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.9866 -9.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.9213 -8.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.0329 -10.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7224 -5.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2508 -13.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6895 -8.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.2646 -10.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0195 -6.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.9537 -12.3413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7224 -4.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2508 -14.8782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.3299 -3.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6242 -15.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0958 -3.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.8584 -15.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.3299 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6242 -17.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0958 -1.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.8584 -17.2816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7224 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.2508 -18.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 1 12 1 0 2 7 1 0 2 13 1 0 3 6 2 0 3 8 1 0 4 7 2 0 4 9 1 0 5 6 1 0 5 7 1 0 5 10 1 0 5 11 1 0 8 12 1 0 8 14 1 6 9 13 1 0 9 15 1 6 14 16 2 0 14 18 1 0 15 17 2 0 15 19 1 0 16 20 1 0 17 21 1 0 18 22 2 0 19 23 2 0 20 24 2 0 21 25 2 0 22 24 1 0 23 25 1 0 M END > InChI=1S/C21H22N2O2/c1-21(2,19-22-17(13-24-19)15-9-5-3-6-10-15)20-23-18(14-25-20)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1 > JTNVCJCSECAMLD-ROUUACIJSA-N > 1/0/N:10,11,24,25,20,22,21,23,16,18,17,19,12,13,14,15,8,9,6,7,5,3,4,1,2/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(22,23)(24,25)/it:im/rA:47cOONNCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1d3s5;s2d4s5;s3;s4;s5;s5;s1s8;s2s9;N8;N9;d14;d15;s14;s15;s16;s17;d18;d19;d20s22;d21s23;s8;s9;s10;s10;s10;s11;s11;s11;s12;s12;s13;s13;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;/rC:6.5235,-8.2403,0;1.4497,-10.8344,0;4.4253,-6.7334,0;3.5288,-12.3413,0;3.9866,-9.5373,0;4.9213,-8.2403,0;3.0329,-10.8344,0;5.7224,-5.7796,0;2.2508,-13.295,0;2.6895,-8.6027,0;5.2646,-10.472,0;7.0195,-6.7334,0;.9537,-12.3413,0;5.7224,-4.1964,0;2.2508,-14.8782,0;4.3299,-3.3953,0;3.6242,-15.6794,0;7.0958,-3.3953,0;.8584,-15.6794,0;4.3299,-1.793,0;3.6242,-17.2816,0;7.0958,-1.793,0;.8584,-17.2816,0;5.7224,-.9919,0;2.2508,-18.0828,0;4.845,-5.3409,0;3.1282,-13.7338,0;2.0982,-9.4038,0;1.8884,-8.0114,0;3.2618,-7.8015,0;5.8559,-9.6709,0;6.0657,-11.0633,0;4.6924,-11.2731,0;7.916,-7.1339,0;7.5154,-5.875,0;.0381,-11.9407,0;.4578,-13.1997,0;3.4716,-3.8912,0;4.4825,-15.1834,0;7.9541,-3.8912,0;0,-15.1834,0;3.4716,-1.2971,0;4.4825,-17.7776,0;7.9541,-1.2971,0;0,-17.7776,0;5.7224,0,0;2.2508,-19.0747,0; > C21 H22 N2 O2 > 334.4116 > O1C([H])([H])[C@@]([H])(C2C([H])=C([H])C([H])=C([H])C=2[H])N=C1C(C([H])([H])[H])(C([H])([H])[H])C1=N[C@]([H])(C2C([H])=C([H])C([H])=C([H])C=2[H])C([H])([H])O1 > 589106 $$$$