67910808 -OEChem-03282405042D 46 47 0 0 0 0 0 0 0999 V2000 4.5981 2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 2.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 1.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 2.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 4.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 4.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -3.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -4.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 18 1 0 0 0 0 2 22 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 12 33 1 0 0 0 0 13 21 3 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 M END > 67910808 > 1 > 477 > 5 > 0 > 6 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAAAAAADATBmAYyBoMABADICiFSEACCCAAgIAAIiAAOiMgNZyKEMRqQMCIlxhWKqYeA4BwOIAABCAAAQABAAAIQAACAAAAAAAAAAA== > (E)-1-(4-ethynylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > (E)-1-(4-ethynyl-1-piperazinyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one > (E)-1-(4-ethynylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > (E)-1-(4-ethynylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > (E)-1-(4-ethynylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > (E)-1-(4-ethynylpiperazino)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one > InChI=1S/C18H22N2O4/c1-5-19-8-10-20(11-9-19)17(21)7-6-14-12-15(22-2)18(24-4)16(13-14)23-3/h1,6-7,12-13H,8-11H2,2-4H3/b7-6+ > QQOMHNINYUEBPE-VOTSOKGWSA-N > 2.1 > 330.15795719 > C18H22N2O4 > 330.4 > COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)C#C > COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCN(CC2)C#C > 51.2 > 330.15795719 > 0 > 24 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 15 16 8 15 17 8 16 19 8 17 18 8 18 20 8 19 20 8 $$$$