Mrv1652309122216462D 24 28 0 0 1 0 999 V2000 -0.8444 -0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0879 -0.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6117 0.1322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2167 0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 -0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7036 -1.1615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 -1.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -1.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9012 -0.2782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8249 0.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0211 1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9958 1.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5454 2.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 2.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 3.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5848 0.9629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1712 0.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4273 -0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2093 -1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7779 -0.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 -0.4837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 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 18 23 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 3 24 1 0 0 0 0 24 7 1 6 0 0 0 M END > NP0329914 > NP-MRD > CC[C@@H]1[C@H]2N3CC[C@@]22C(NC4=CC=CC=C24)=C(C1CC3)C(=O)OC > InChI=1S/C20H24N2O2/c1-3-12-13-8-10-22-11-9-20(18(12)22)14-6-4-5-7-15(14)21-17(20)16(13)19(23)24-2/h4-7,12-13,18,21H,3,8-11H2,1-2H3/t12-,13?,18+,20+/m0/s1 > RLAKWLFUMAABBE-BMWAJPDPSA-N > C20H24N2O2 > 324.424 > 324.183778021 > 3 > 48 > 35.928190373638415 > 1 > 1 > 0 > 1 > methyl (1S,17R,18S)-18-ethyl-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6,9-tetraene-10-carboxylate > 2.2582812539999995 > 0 > 5 > 1 > 13.980956252562393 > 10.270074203598881 > 41.57 > 95.83470000000003 > 3 > 1 > methyl (1S,17R,18S)-18-ethyl-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6,9-tetraene-10-carboxylate > 0 > NP0329914 > methyl (1s,17r,18s)-18-ethyl-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate $$$$