40779505 CDK 0121221436 35 38 0 0 0 0 0 0 0 0999 V2000 5.7779 -1.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 1.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 0.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0099 0.4245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 2.1084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -0.2101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0734 2.0651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7964 -0.3724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9897 1.1246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3818 -0.0856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6640 -0.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9505 -0.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 1.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1641 0.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6341 0.2631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1929 1.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5517 0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8599 1.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0302 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3544 -1.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0897 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 -2.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 -1.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4485 1.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9605 0.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7505 -2.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9309 -1.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6783 1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1904 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5492 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 2.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6149 -1.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8983 1.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 29 1 0 0 0 0 2 32 1 0 0 0 0 3 31 1 0 0 0 0 3 33 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 18 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 6 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 35 1 6 0 0 0 10 11 1 0 0 0 0 10 15 1 6 0 0 0 12 14 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 2 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 M END > CHEBI:189527 > N-({(2r,4s,5r)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1h-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-2-ethylbutanamide > 2 > N-[[(2R,4S,5R)-5-[5-(3,4-dimethoxyphenyl)-2-methylpyrazol-3-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-2-ethylbutanamide > C26H38N4O3 > 454.615 > 454.29439 > 0 > O=C(NC[C@@H]1N2C[C@@]([C@](C1)(CC2)[H])(C=3N(N=C(C3)C4=CC(OC)=C(OC)C=C4)C)[H])C(CC)CC > InChI=1S/C26H38N4O3/c1-6-17(7-2)26(31)27-15-20-12-18-10-11-30(20)16-21(18)23-14-22(28-29(23)3)19-8-9-24(32-4)25(13-19)33-5/h8-9,13-14,17-18,20-21H,6-7,10-12,15-16H2,1-5H3,(H,27,31)/t18-,20+,21-/m0/s1 > WNYAYSNQIPQABA-TYPHKJRUSA-N $$$$