Mrv0541 04121502092D 29 31 0 0 0 0 999 V2000 4.7812 4.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 3.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 3.4166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7948 4.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6018 3.8581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 4.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0919 5.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 4.9858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1809 4.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 4.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9962 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8857 0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 12 11 1 4 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 13 20 1 0 0 0 0 20 21 2 0 0 0 0 11 22 1 0 0 0 0 8 22 1 0 0 0 0 22 23 2 0 0 0 0 5 23 1 0 0 0 0 10 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 2 0 0 0 0 2 29 1 0 0 0 0 M END > NP0251994 > NP-MRD > CC(C)=CCC1=CC=C2NC(=C(C=C3NC(=O)C(=O)NC3=O)C2=C1)C(C)(C)C=C > InChI=1S/C23H25N3O3/c1-6-23(4,5)19-16(12-18-20(27)26-22(29)21(28)25-18)15-11-14(8-7-13(2)3)9-10-17(15)24-19/h6-7,9-12,24H,1,8H2,2-5H3,(H,25,28)(H,26,27,29) > DNBYIRPIGWYFFR-UHFFFAOYSA-N > C23H25N3O3 > 391.471 > 391.189591677 > 3 > 54 > 42.70402695931367 > 1 > 3 > 0 > 1 > 6-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}piperazine-2,3,5-trione > 4.71 > 3.596666887333334 > -5.72 > 0 > 3 > -1 > 11.275671310369672 > 6.505722514254918 > -6.546063985352946 > 91.06 > 115.18569999999995 > 5 > 1 > 7.47e-04 g/l > 6-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene}piperazine-2,3,5-trione > 0 > NP0251994 > 6-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}piperazine-2,3,5-trione $$$$