6890120 -OEChem-05132400252D 61 66 0 0 0 0 0 0 0999 V2000 7.2917 -2.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9582 -1.8114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1515 0.2905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3386 -0.0628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3173 -1.9860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9354 -0.0838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1497 1.2905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6457 -3.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3126 -2.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3119 -4.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2906 -4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2913 -2.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9575 -4.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6541 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9725 -2.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 -0.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3478 -0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6482 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9572 -0.2918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6620 -0.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2955 -1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6045 -0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9804 -2.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6199 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0149 1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0010 -2.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3228 -1.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0132 2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8783 3.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1463 3.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8766 4.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1446 4.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0097 4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8974 -2.3162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -2.5647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 -3.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 -3.9295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 -1.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7858 -2.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -4.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2921 -5.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 -5.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8174 -5.1189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0608 -3.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8181 -2.8835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5644 -4.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7937 -0.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0561 -0.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5302 -1.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7821 -3.1502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8047 -0.0029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5524 1.4829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4140 -2.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9288 -1.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4158 2.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6099 2.9795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4130 4.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6071 4.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0086 5.4120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 7 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 18 2 0 0 0 0 4 19 1 0 0 0 0 5 20 2 0 0 0 0 5 23 1 0 0 0 0 6 21 2 0 0 0 0 6 24 1 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 22 1 0 0 0 0 20 21 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 28 1 0 0 0 0 25 52 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 27 30 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 34 2 0 0 0 0 32 58 1 0 0 0 0 33 35 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > 6890120 > 1 > 877 > 5 > 0 > 5 > AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8YIECAAAAAFix/gAAHgAIAAAADAjBnwQz8L8IEACoAzdzdACShC0lEqAdmCE4dNiIaPrA3dGUJYhojgLIyWcUgIAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA== > 17-[(E)-benzylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one > 13-[2-(1-cyclohexenyl)ethyl]-14-methyl-17-[(E)-(phenylmethylene)amino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one > 17-[(E)-benzylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one > 17-[(E)-benzylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one > 13-[2-(cyclohexen-1-yl)ethyl]-14-methyl-17-[(E)-(phenylmethylidene)amino]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one > 17-[(E)-benzalamino]-13-[2-(cyclohexen-1-yl)ethyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one > InChI=1S/C28H26N6O/c1-19-30-26-24(28(35)33(19)17-16-20-10-4-2-5-11-20)25-27(32-23-15-9-8-14-22(23)31-25)34(26)29-18-21-12-6-3-7-13-21/h3,6-10,12-15,18H,2,4-5,11,16-17H2,1H3/b29-18+ > UFLZRXQRCXPMRJ-RDRPBHBLSA-N > 4.8 > 462.21680947 > C28H26N6O > 462.5 > CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=CC=C5)C(=O)N1CCC6=CCCCC6 > CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2/N=C/C5=CC=CC=C5)C(=O)N1CCC6=CCCCC6 > 75.7 > 462.21680947 > 0 > 35 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 16 17 8 16 19 8 16 20 8 2 17 8 2 18 8 20 21 8 23 24 8 23 25 8 24 26 8 25 28 8 26 29 8 28 29 8 3 19 8 3 21 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 4 18 8 4 19 8 5 20 8 5 23 8 6 21 8 6 24 8 $$$$