null CDK 0225161900 null 33 36 0 0 0 0 0 0 0 0999 V2000 -2.7512 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0367 -5.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3222 -5.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0367 -6.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3693 -6.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 -7.5187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4492 -7.5187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7041 -6.7340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4888 -6.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1562 -6.9640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8236 -6.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5687 -5.6945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7437 -5.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2588 -5.0270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5846 -6.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 -7.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4131 -5.6721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3715 -5.4172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -4.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3277 -4.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4992 -3.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2838 -3.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8969 -3.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7254 -4.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9407 -4.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4553 -2.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 -1.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0138 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4007 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5722 0.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3568 0.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 -0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7984 -0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 9 1 0 0 0 0 13 14 1 0 0 0 0 5 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 17 1 4 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 22 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 M END > CHEBI:115030 > 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(3-phenylmethoxyphenyl)methylideneamino]-5-propan-2-yl-4-triazolecarboxamide > 2 > C22H22N8O3 > 446.463 > 446.18149 > 0 > CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4 > InChI=1S/C22H22N8O3/c1-14(2)19-18(25-29-30(19)21-20(23)27-33-28-21)22(31)26-24-12-16-9-6-10-17(11-16)32-13-15-7-4-3-5-8-15/h3-12,14H,13H2,1-2H3,(H2,23,27)(H,26,31) > GLZVHQXXRHVQQB-UHFFFAOYSA-N > LSM-26492 $$$$