51687199 -OEChem-03282415182D 59 61 0 1 0 0 0 0 0999 V2000 5.4641 -3.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8883 3.6664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 1.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9757 -0.0513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1448 1.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 0.6919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4236 2.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6315 2.9973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0962 4.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -0.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.4545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 2.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 2.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.3345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8487 2.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 1.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2063 2.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 3.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -4.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -4.1445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -5.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -4.1076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7027 4.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2252 5.2510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4898 4.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 27 1 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 25 1 0 0 0 0 3 29 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 12 4 1 6 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 16 2 0 0 0 0 8 9 2 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 22 1 0 0 0 0 18 41 1 0 0 0 0 19 23 2 0 0 0 0 19 42 1 0 0 0 0 20 26 2 0 0 0 0 20 43 1 0 0 0 0 21 25 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M END > 51687199 > 1 > 491 > 8 > 0 > 10 > AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgAIAAAADCzhmwYzFocIBACiAiJiJACCCAMgoIAdyAA+jIiPZiKEuRuVMCpkwBOaqAew0LMOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > 1-allyl-4-[(S)-(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine > 1-[(S)-(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-4-prop-2-enylpiperazine > 1-[(S)-(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine > 1-[(S)-(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine > 1-[(S)-(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-prop-2-enyl-piperazine > 1-allyl-4-[(S)-(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine > InChI=1S/C20H30N6O3/c1-5-8-24-9-11-25(12-10-24)19(20-21-22-23-26(20)13-14-27-2)16-6-7-17(28-3)18(15-16)29-4/h5-7,15,19H,1,8-14H2,2-4H3/t19-/m0/s1 > MBGSNPOWUKYNSV-IBGZPJMESA-N > 1.3 > 402.23793884 > C20H30N6O3 > 402.5 > COCCN1C(=NN=N1)C(C2=CC(=C(C=C2)OC)OC)N3CCN(CC3)CC=C > COCCN1C(=NN=N1)[C@H](C2=CC(=C(C=C2)OC)OC)N3CCN(CC3)CC=C > 77.8 > 402.23793884 > 0 > 29 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 18 8 15 19 8 18 22 8 19 23 8 22 24 8 23 24 8 12 4 6 6 16 8 6 8 8 7 16 8 7 9 8 8 9 8 $$$$