45281074 -OEChem-04262410252D 61 64 0 1 0 0 0 0 0999 V2000 6.1591 -1.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 0.6054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1431 -2.3946 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2295 -1.9879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0604 -3.5971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -3.4355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7411 1.1054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7411 2.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 -0.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0091 -0.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6072 2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6072 0.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0091 -1.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6072 3.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 2.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5011 2.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7411 4.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8751 3.6054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5011 4.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4072 2.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4072 3.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0385 -3.3892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 -2.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -3.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -2.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -3.1220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 -2.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -4.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -4.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2042 1.4154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0872 -0.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4857 -0.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3382 0.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7970 -0.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3985 -1.0023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2972 0.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1441 0.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9172 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2211 -2.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6197 -1.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3382 2.2954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4939 1.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7411 4.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3382 3.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4939 4.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9429 2.2725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9429 3.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4993 -3.8040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 -1.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 -4.0019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -4.7064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 -4.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 -1.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 -0.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 -1.6516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -2.4008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -2.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -3.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 2 0 0 0 0 7 2 1 1 0 0 0 2 9 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 4 23 2 0 0 0 0 5 22 2 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 17 1 0 0 0 0 14 19 2 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 31 1 0 0 0 0 27 30 1 0 0 0 0 27 32 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END > 45281074 > 1 > 601 > 4 > 2 > 8 > AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAADB1AAAHgAYAAAADCjBmwQ30MbIEACqAidzdACSgAszgqAdyICIZIiIaCLA2bGUIAhonALIyAcQgMAOiAACQAAQAAAQAASAACAAAAAAAAAAAA== > N-(3,4-dimethylphenyl)-1-[3-[[(1R)-1-(1-naphthyl)ethyl]amino]propyl]-1,2,4-triazole-3-carboxamide > N-(3,4-dimethylphenyl)-1-[3-[[(1R)-1-(1-naphthalenyl)ethyl]amino]propyl]-1,2,4-triazole-3-carboxamide > N-(3,4-dimethylphenyl)-1-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]propyl]-1,2,4-triazole-3-carboxamide > N-(3,4-dimethylphenyl)-1-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]propyl]-1,2,4-triazole-3-carboxamide > N-(3,4-dimethylphenyl)-1-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]propyl]-1,2,4-triazole-3-carboxamide > N-(3,4-dimethylphenyl)-1-[3-[[(1R)-1-(1-naphthyl)ethyl]amino]propyl]-1,2,4-triazole-3-carboxamide > InChI=1S/C26H29N5O/c1-18-12-13-22(16-19(18)2)29-26(32)25-28-17-31(30-25)15-7-14-27-20(3)23-11-6-9-21-8-4-5-10-24(21)23/h4-6,8-13,16-17,20,27H,7,14-15H2,1-3H3,(H,29,32)/t20-/m1/s1 > UVZFUWVYPXPUBZ-HXUWFJFHSA-N > 4.9 > 427.23721057 > C26H29N5O > 427.5 > CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CCCNC(C)C3=CC=CC4=CC=CC=C43)C > CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CCCN[C@H](C)C3=CC=CC4=CC=CC=C43)C > 71.8 > 427.23721057 > 0 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 8 11 16 8 14 17 8 14 19 8 15 18 8 16 20 8 17 18 8 19 21 8 7 2 5 20 21 8 24 28 8 24 29 8 26 27 8 26 28 8 27 30 8 29 30 8 3 22 8 3 4 8 4 23 8 5 22 8 5 23 8 8 11 8 8 15 8 $$$$