69800174 -OEChem-05042410192D 63 66 0 0 0 0 0 0 0999 V2000 5.6906 -1.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 0.7151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6906 0.7151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 3.3132 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 -1.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 0.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 -1.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1906 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -1.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3691 -1.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -2.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9926 -2.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6384 -3.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -3.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6906 0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1906 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1906 1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6906 0.7151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 -0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1906 1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1906 1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1906 1.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6906 2.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 2.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1906 3.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6906 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6906 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 0.9077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 0.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 -0.5130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -1.2095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 1.5312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 1.3591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -1.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 -1.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3612 0.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 -1.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 -2.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3806 1.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6056 -2.3741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 -4.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8806 -0.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8806 2.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -4.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6373 -4.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7354 -3.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5006 -0.6879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5006 2.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2983 2.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6080 1.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0006 0.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0830 0.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7733 1.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0006 1.9102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8106 3.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3806 4.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0006 4.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 2 45 1 0 0 0 0 3 23 1 0 0 0 0 3 26 1 0 0 0 0 3 57 1 0 0 0 0 4 28 1 0 0 0 0 4 31 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 8 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 15 17 2 0 0 0 0 15 44 1 0 0 0 0 16 18 2 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 22 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 24 1 0 0 0 0 20 48 1 0 0 0 0 21 25 2 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 30 32 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 M END > 69800174 > 1 > 614 > 3 > 2 > 7 > AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAABAAAAAAB0AAAHgAQAAAADAjBngQ+wJLIEACoAzV3VACCgCAxAiAI2KE4ZNgIIPLA0ZGEIAhglADIyQcYiMCOQACAAAAAAACAAQAAAAAAAAAAAAAAAA== > 2-(p-tolyl)-N-[4-[2-(2-pyridyl)ethylamino]phenyl]cycloheptene-1-carboxamide > 2-(4-methylphenyl)-N-[4-[2-(2-pyridinyl)ethylamino]phenyl]-1-cycloheptenecarboxamide > 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]cycloheptene-1-carboxamide > 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]cycloheptene-1-carboxamide > 2-(4-methylphenyl)-N-[4-(2-pyridin-2-ylethylamino)phenyl]cycloheptene-1-carboxamide > 2-(p-tolyl)-N-[4-[2-(2-pyridyl)ethylamino]phenyl]cycloheptene-1-carboxamide > InChI=1S/C28H31N3O/c1-21-10-12-22(13-11-21)26-8-3-2-4-9-27(26)28(32)31-25-16-14-24(15-17-25)30-20-18-23-7-5-6-19-29-23/h5-7,10-17,19,30H,2-4,8-9,18,20H2,1H3,(H,31,32) > GPZHRWXGKDEXFY-UHFFFAOYSA-N > 6 > 425.246712621 > C28H31N3O > 425.6 > CC1=CC=C(C=C1)C2=C(CCCCC2)C(=O)NC3=CC=C(C=C3)NCCC4=CC=CC=N4 > CC1=CC=C(C=C1)C2=C(CCCCC2)C(=O)NC3=CC=C(C=C3)NCCC4=CC=CC=N4 > 54 > 425.246712621 > 0 > 32 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 15 8 14 16 8 15 17 8 16 18 8 17 18 8 19 20 8 19 21 8 20 24 8 21 25 8 23 24 8 23 25 8 28 29 8 29 30 8 30 32 8 31 32 8 4 28 8 4 31 8 $$$$