28 31 0 0001 0 0 0 0 0999 V2000 3.1240 -6.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4170 -7.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2705 -5.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9775 -5.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.1240 -7.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9775 -4.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2705 -4.5756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.2705 -8.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4170 -6.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3427 -8.8040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.5433 -10.1925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.1240 -3.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3253 -3.4290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2705 -9.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9775 -2.2930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.9775 -8.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4170 -3.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9775 -9.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.1240 -10.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6627 -4.5756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 5.4170 -5.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 6.5530 -4.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.6996 -3.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3253 -1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9775 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3028 -2.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9655 -1.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 1 4 2 0 1 5 1 0 2 8 1 0 2 10 2 0 2 9 1 0 3 7 1 0 3 9 1 0 3 22 1 1 4 6 1 0 5 8 2 0 5 17 1 0 6 12 1 0 6 13 1 1 6 21 1 6 7 18 1 0 7 12 1 0 8 14 1 0 10 11 1 0 11 14 1 0 13 15 2 0 13 16 1 0 14 20 2 0 16 25 1 0 16 27 1 0 17 19 2 0 18 23 1 0 19 20 1 0 23 24 1 0 25 26 1 0 27 28 1 0 M END > InChI=1S/C22H29N3O/c1-4-10-25-14-16(22(26)24(5-2)6-3)11-18-17-8-7-9-19-21(17)15(13-23-19)12-20(18)25/h7-9,11,13,16,20,23H,4-6,10,12,14H2,1-3H3/t16-,20-/m1/s1 > HZKYLVLOBYNKKM-OXQOHEQNSA-N > 1/0/N:24,26,28,23,25,27,19,17,20,18,4,9,10,12,2,6,5,1,14,3,8,13,11,16,7,15/E:(2,3)(5,6)/it:im/rA:28cCCCCCCNCCCNCCCONCCCCHHCCCCCC/rB:;s1;d1;s1;s4;s3;s2d5;s2s3;d2;s10;s6s7;P6;s8s11;d13;s13;s5;s7;d17;d14s19;N6;P3;s18;s23;s16;s25;s16;s27;/rC:3.124,-6.553,0;5.417,-7.8784,0;4.2705,-5.9009,0;1.9775,-5.9009,0;3.124,-7.8784,0;1.9775,-4.5756,0;4.2705,-4.5756,0;4.2705,-8.541,0;5.417,-6.553,0;6.3427,-8.804,0;5.5433,-10.1925,0;3.124,-3.9129,0;1.3253,-3.429,0;4.2705,-9.8559,0;0,-3.429,0;1.9775,-2.293,0;1.9775,-8.541,0;5.417,-3.9129,0;1.9775,-9.8559,0;3.124,-10.5185,0;.6627,-4.5756,0;5.417,-5.2382,0;6.553,-4.5756,0;7.6996,-3.9129,0;1.3253,-1.1465,0;1.9775,0,0;3.3028,-2.293,0;3.9655,-1.1465,0; > C22 H29 N3 O > 351.4852 > C12C3C=CC=C4NC=C(C[C@@]1([H])N(C[C@]([H])(C(N(CC)CC)=O)C=2)CCC)C=34 > 21106361 $$$$