CDK 0521202331 35 39 0 0 0 0 0 0 0 0999 V2000 35.9233 -1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5116 -2.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.9233 -2.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5116 -3.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9866 -2.9442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1812 -3.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9007 -3.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0952 -4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5661 -3.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8466 -2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.6562 -2.4617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8039 -3.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8039 -4.8029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 34.0961 -5.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3842 -4.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6765 -5.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6765 -6.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3842 -6.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0961 -6.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5116 -5.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2236 -4.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9978 -5.0530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.4832 -4.3913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.9978 -3.7296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 37.2520 -2.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.0538 -2.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6014 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.4032 -3.2186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6532 -2.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.4550 -2.2713 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 39.1057 -1.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3080 -2.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2236 -3.9838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7383 -2.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5116 -0.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 0 0 0 0 8 7 2 0 0 0 0 8 9 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 6 11 2 0 0 0 0 4 12 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 18 1 0 0 0 0 14 19 2 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 26 27 1 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 29 2 0 0 0 0 32 31 1 0 0 0 0 26 32 2 0 0 0 0 24 33 1 0 0 0 0 33 4 1 0 0 0 0 21 33 2 0 0 0 0 3 34 2 0 0 0 0 1 35 1 0 0 0 0 M END > CHEBI:149952 > Ethyl 7-benzyl-1-[(4-fluorophenyl)methyl]-5-phenyl-4,6-dihydrotriazolo[4,5-c]pyridine-7-carboxylate > 2 > C28H27FN4O2 > 470.548 > 470.21180 > 0 > C(OC(C1(CC=2C=CC=CC2)CN(C=3C=CC=CC3)CC=4N=NN(CC=5C=CC(F)=CC5)C14)=O)C > InChI=1S/C28H27FN4O2/c1-2-35-27(34)28(17-21-9-5-3-6-10-21)20-32(24-11-7-4-8-12-24)19-25-26(28)33(31-30-25)18-22-13-15-23(29)16-14-22/h3-16H,2,17-20H2,1H3 > HNPXJDFVFVHUPC-UHFFFAOYSA-N $$$$