3179723 -OEChem-04262415432D 68 72 0 0 0 0 0 0 0999 V2000 7.3390 -1.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 0.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4814 -0.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4814 -2.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 2.7570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 4.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -3.4816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 -0.9816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 -0.4816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3684 0.5129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5594 -0.8883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8903 -0.1452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 -3.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4255 -3.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2345 -4.9761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 -4.3180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2563 -5.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -2.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 -1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9371 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8031 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6691 -0.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8031 -1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5352 -0.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5352 -1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6691 -2.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0650 -1.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 1.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 3.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 3.3569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 5.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3066 -3.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7355 -3.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9239 -3.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2993 -5.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8545 -4.9761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3415 -3.8573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2547 -4.6824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6899 -5.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 -5.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7420 -3.7916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2831 -2.5642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6816 -1.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3356 -0.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5386 -0.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 -1.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7375 -1.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6691 0.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2662 -2.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6691 -3.1016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5259 -1.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5259 -1.0669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 1.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 2.3786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 3.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 1.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 1.5835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 4.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7156 5.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 5.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 21 2 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 4 27 1 0 0 0 0 4 29 1 0 0 0 0 5 34 1 0 0 0 0 5 37 1 0 0 0 0 6 35 1 0 0 0 0 6 38 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 7 48 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 30 2 0 0 0 0 11 12 2 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 25 28 2 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 33 36 2 0 0 0 0 33 61 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 M END > 3179723 > 1 > 800 > 9 > 1 > 10 > AAADceB7uAAAAAAAAAAAAAAAAAAAAeJEAAAwYAAAAAAAAEgB0AAAHgAYAAAADCzBmwczHofABACqAiNyMACSCAIgoAAciKCujJgdZqKEsTu0MCpk3hGOqAew0BIOIAABAAAAQABAAAIAAACAAAAAAAAAAA== > N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxo-ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide > N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]acetamide > N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide > N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide > N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-2-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamide > N-[2-(cyclopentylamino)-2-keto-ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-piperonyl-acetamide > InChI=1S/C26H30N6O6/c1-35-20-10-8-18(12-22(20)36-2)26-28-30-32(29-26)15-25(34)31(14-24(33)27-19-5-3-4-6-19)13-17-7-9-21-23(11-17)38-16-37-21/h7-12,19H,3-6,13-16H2,1-2H3,(H,27,33) > QAFNNXKJUGGRHK-UHFFFAOYSA-N > 3.3 > 522.22268270 > C26H30N6O6 > 522.6 > COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N(CC3=CC4=C(C=C3)OCO4)CC(=O)NC5CCCC5)OC > COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N(CC3=CC4=C(C=C3)OCO4)CC(=O)NC5CCCC5)OC > 130 > 522.22268270 > 0 > 38 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 30 8 11 12 8 12 30 8 22 24 8 22 25 8 24 26 8 25 28 8 26 27 8 27 28 8 31 32 8 31 33 8 32 34 8 33 36 8 34 35 8 35 36 8 9 10 8 9 11 8 $$$$