6916252 -OEChem-10101305032D 39 42 0 1 0 0 0 0 0999 V2000 2.0000 1.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 -1.5842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.4920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.5427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3961 -0.0427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3961 0.9573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3062 -0.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 -0.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3142 -1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9742 0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4121 -2.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2434 0.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9014 1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.9781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1323 0.3823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8212 1.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9178 -0.6509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5107 0.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7323 0.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 0.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 1.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 1.9323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9736 -1.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5277 -2.1732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9242 -1.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8388 1.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0111 -2.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8094 -2.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 2.1119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 1.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6893 2.1452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3188 1.3505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 4 2 1 1 0 0 0 2 14 1 0 0 0 0 2 28 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 6 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 21 1 1 0 0 0 7 11 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 34 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 M END > 6916252 > 1 > 543 > 2 > 2 > 0 > AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAAsQIEAAAAQAACAAAAAHgAQAAAADYjBgAQCAALAAACIAiVSUACAAAAgAAAICIAIAEgIAAIAgQAEAAAAlACIgYMQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12-,16+/m1/s1 > YYWGABLTRMRUIT-HSMVNMDESA-N > 0.6 > 256.157563 > C16H20N2O > 256.3428 > CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4 > CC1=C[C@@H]2CC3=C(C=CC(=O)N3)[C@]4(C1)[C@@H]2CCCN4 > 41.1 > 256.157563 > 0 > 19 > 3 > 0 > 0 > 0 > 0 > 1 > 5 > 1 5 255 > 16 18 8 18 19 8 4 2 5 3 12 8 3 19 8 5 20 6 6 21 5 9 12 8 9 16 8 $$$$