69707850 -OEChem-03282422122D 71 73 0 1 0 0 0 0 0999 V2000 2.8680 3.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.5173 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 2.4827 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2641 3.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 5.4827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9962 0.9827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1301 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 -5.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 4.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -5.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 3.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 5.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 0.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5195 -0.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 -1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4728 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0742 1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5976 -1.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3947 -1.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6535 1.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 0.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3388 -1.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9403 -0.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 1.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 2.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 2.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1176 -1.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5161 -2.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2048 -2.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8063 -1.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 2.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9836 -3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3822 -4.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 2.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 1.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8421 1.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0708 -4.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6723 -3.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8497 -4.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2482 -5.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0163 -6.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 -5.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6363 -4.9804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 2.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 5.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 6.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 5.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 4.4933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 4.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 3.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 31 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 19 2 0 0 0 0 4 27 1 0 0 0 0 5 24 1 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 1 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 1 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 15 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 2 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 21 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 23 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 25 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 28 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 29 2 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 28 30 2 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 30 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 M END > 69707850 > 1 > 516 > 5 > 0 > 12 > AAADcfB7oAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAACx8AAAHgAAAAAADQzBngY39vcIFACgAyZjZACCiCkxIqAJ2CA+bJiMLqLE+duENChswBPI6CewwBAOgEABAAACAAAAgAIAAAQAAAAAAAAAAA== > N-[2-[(3R,4S)-1-heptyl-3-vinyl-4-piperidyl]ethyl]-6-methoxy-N-methyl-quinazolin-4-amine > N-[2-[(3R,4S)-3-ethenyl-1-heptyl-4-piperidinyl]ethyl]-6-methoxy-N-methyl-4-quinazolinamine > N-[2-[(3R,4S)-3-ethenyl-1-heptylpiperidin-4-yl]ethyl]-6-methoxy-N-methylquinazolin-4-amine > N-[2-[(3R,4S)-3-ethenyl-1-heptylpiperidin-4-yl]ethyl]-6-methoxy-N-methylquinazolin-4-amine > N-[2-[(3R,4S)-3-ethenyl-1-heptyl-piperidin-4-yl]ethyl]-6-methoxy-N-methyl-quinazolin-4-amine > 2-[(3R,4S)-1-heptyl-3-vinyl-4-piperidyl]ethyl-(6-methoxyquinazolin-4-yl)-methyl-amine > InChI=1S/C26H40N4O/c1-5-7-8-9-10-15-30-17-14-22(21(6-2)19-30)13-16-29(3)26-24-18-23(31-4)11-12-25(24)27-20-28-26/h6,11-12,18,20-22H,2,5,7-10,13-17,19H2,1,3-4H3/t21-,22+/m0/s1 > QJXFBKGGTLVQIU-FCHUYYIVSA-N > 6.5 > 424.32021191 > C26H40N4O > 424.6 > CCCCCCCN1CCC(C(C1)C=C)CCN(C)C2=NC=NC3=C2C=C(C=C3)OC > CCCCCCCN1CC[C@H]([C@H](C1)C=C)CCN(C)C2=NC=NC3=C2C=C(C=C3)OC > 41.5 > 424.32021191 > 0 > 31 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 23 8 23 24 8 23 26 8 24 28 8 26 29 8 28 30 8 29 30 8 4 19 8 4 27 8 5 24 8 5 27 8 6 11 5 7 14 5 $$$$