26 30 0 0001 0 0 0 0 0999 V2000 2.0000 0.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.5322 0.8045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 2.8602 2.3081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 6.7140 -3.3119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.5161 -0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6501 -0.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6341 1.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3821 -0.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7401 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6501 -1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3821 -1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5161 -2.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0490 2.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6670 2.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3543 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3543 3.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5322 -3.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.4039 1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1191 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7401 -2.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6341 -3.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.2120 0.1576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 7.0240 -3.8488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 2 5 1 0 2 8 1 0 2 20 1 0 3 14 1 0 3 15 1 0 3 16 1 0 4 19 1 0 4 21 1 0 4 26 1 0 5 7 1 0 5 9 1 0 5 25 1 1 6 8 1 0 6 10 1 0 6 14 1 1 7 10 2 0 7 11 1 0 9 12 1 0 11 13 2 0 11 22 1 0 12 13 1 0 12 21 2 0 13 19 1 0 15 17 1 0 16 18 1 0 17 18 1 0 19 23 2 0 22 24 2 0 23 24 1 0 M END > 11 13 8 11 22 8 12 13 8 12 21 8 13 19 8 19 23 8 22 24 8 23 24 8 4 19 8 4 21 8 5 25 5 6 14 5 > InChI=1S/C20H23N3O/c1-22-12-14(20(24)23-7-2-3-8-23)9-16-15-5-4-6-17-19(15)13(11-21-17)10-18(16)22/h4-6,9,11,14,18,21H,2-3,7-8,10,12H2,1H3/t14-,18-/m1/s1 > SETDYMMXQQXCRP-RDTXWAMCSA-N > 1/0/N:20,17,18,24,22,23,15,16,10,9,21,8,12,6,11,7,19,5,13,14,4,2,3,1/E:(2,3)(7,8)/it:im/rA:47cONNNCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s2;;s5;s2s6;s5;s6d7;s7;s9;d11s12;d1s3P6;s3;s3;s15;s16s17;s4s13;s2;s4d12;s11;d19;d22s23;P5;s6;s8;s8;s9;s9;s10;s15;s15;s16;s16;s17;s17;s18;s18;s20;s20;s20;s21;s22;s4;s23;s24;/rC:2,.8047,0;5.5322,.8045,0;2.8602,2.3081,0;6.714,-3.3119,0;5.5161,-.237,0;3.732,.8114,0;4.6501,-.737,0;4.6341,1.3322,0;6.3821,-.737,0;3.7401,-.2302,0;4.6501,-1.737,0;6.3821,-1.737,0;5.5161,-2.237,0;2.8641,1.3081,0;2.049,2.8927,0;3.667,2.899,0;2.3543,3.845,0;3.3543,3.8488,0;5.5322,-3.2785,0;6.4039,1.2944,0;7.1191,-2.4041,0;3.7401,-2.2439,0;4.6341,-3.8063,0;3.732,-3.2855,0;6.212,.1576,0;3.7308,1.4314,0;5.0351,1.8051,0;4.2368,1.8082,0;6.9927,-.8447,0;6.5942,-.1544,0;3.2068,-.5464,0;1.4816,3.1427,0;1.741,2.3546,0;3.979,2.3632,0;4.2324,3.1533,0;2.4167,4.4618,0;1.7474,3.9715,0;3.9603,3.9801,0;3.2871,4.4652,0;6.7077,.754,0;6.9444,1.5982,0;6.1001,1.8349,0;7.7258,-2.2763,0;3.2068,-1.9277,0;7.024,-3.8488,0;4.6365,-4.4263,0;3.1939,-3.5934,0; > C20 H23 N3 O > 321.4161 > O=C([C@]1([H])C([H])=C2C3C([H])=C([H])C([H])=C4C=3C(=C([H])N4[H])C([H])([H])[C@@]2([H])N(C([H])([H])[H])C1([H])[H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H] > 173678 $$$$