16306084 -OEChem-05132419102D 65 68 0 0 0 0 0 0 0999 V2000 5.0132 -0.8387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3433 -2.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3375 0.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 0.1613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1472 0.6613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4773 -0.8387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2219 1.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3209 0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6112 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4888 2.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3653 0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6112 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4773 0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3433 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2093 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0754 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9414 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8074 -1.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6734 -0.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9414 0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6734 0.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8074 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5674 -1.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5674 0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4734 0.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4734 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2055 0.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8143 1.4758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5319 2.1954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 -0.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7754 -0.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1346 -0.7310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5332 -1.4213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0098 1.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2127 1.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 2.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2623 2.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7523 0.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -0.2255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5463 2.8079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9075 2.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 1.7453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 0.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2777 1.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4807 1.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2127 -1.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0098 -1.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0879 0.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6893 0.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2093 -0.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0754 -1.9587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8074 -1.9587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4044 0.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8074 1.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5602 -1.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5602 1.3159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0092 -1.1716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8976 -0.3493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7436 -0.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5134 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 19 2 0 0 0 0 3 30 1 0 0 0 0 3 32 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 11 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 12 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 16 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 17 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 13 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 18 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 59 1 0 0 0 0 28 31 2 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 M END > 16306084 > 1 > 651 > 4 > 0 > 5 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAADBUAAAHgAAAAAADATBmAYyBsMABACIAiFSEACCCAAgIAAIiACOCMgMZiKEsTqUMCAkxhGIqYeQwPAO4AADAAAQAADAAAYAACAAAAAAAAAAAA== > (E)-1-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-3-(6-methoxy-2-naphthyl)prop-2-en-1-one > (E)-1-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-3-(6-methoxy-2-naphthalenyl)-2-propen-1-one > (E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one > (E)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one > (E)-1-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one > (E)-1-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-3-(6-methoxy-2-naphthyl)prop-2-en-1-one > InChI=1S/C26H33N3O3/c1-32-24-10-9-22-18-21(6-8-23(22)19-24)7-11-25(30)29-16-14-27(15-17-29)20-26(31)28-12-4-2-3-5-13-28/h6-11,18-19H,2-5,12-17,20H2,1H3/b11-7+ > YMTPWQVFHBKZGE-YRNVUSSQSA-N > 3.6 > 435.25219192 > C26H33N3O3 > 435.6 > COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)N3CCN(CC3)CC(=O)N4CCCCCC4 > COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4 > 53.1 > 435.25219192 > 0 > 32 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 22 23 8 22 25 8 23 24 8 24 26 8 24 28 8 25 27 8 26 27 8 26 29 8 28 31 8 29 30 8 30 31 8 $$$$