6960366 -OEChem-04192420312D 65 69 0 1 0 0 0 0 0999 V2000 6.9389 2.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2579 -5.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1427 -0.9862 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.5604 -1.6907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7579 0.3455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0669 -0.6056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 2.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 2.1056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7579 0.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4489 -0.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2579 -1.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 2.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3457 1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2579 -2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7469 0.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1239 -2.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3918 -2.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7414 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -0.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1239 -3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3918 -3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2579 -4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -1.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 -0.8816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8041 5.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 5.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 5.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1239 -5.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1438 1.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8825 -0.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1389 -1.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0688 2.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9418 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2969 1.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1453 -0.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7902 -0.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6608 -2.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 -2.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3430 0.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6982 0.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 1.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -0.6329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6608 -4.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 -4.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 3.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 3.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 -1.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -1.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2671 5.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 5.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 6.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8139 -6.2303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6608 -6.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4339 -5.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 28 1 0 0 0 0 2 38 1 0 0 0 0 3 34 1 0 0 0 0 4 34 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 8 13 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 1 0 0 0 10 12 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 13 18 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 23 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 29 2 0 0 0 0 20 30 1 0 0 0 0 21 26 1 0 0 0 0 21 47 1 0 0 0 0 22 27 2 0 0 0 0 22 48 1 0 0 0 0 23 34 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 31 1 0 0 0 0 24 51 1 0 0 0 0 25 32 2 0 0 0 0 25 52 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 29 35 1 0 0 0 0 29 55 1 0 0 0 0 30 36 2 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 35 37 2 0 0 0 0 35 60 1 0 0 0 0 36 37 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 38 65 1 0 0 0 0 M CHG 1 3 -1 M END > 6960366 > 1 > 825 > 6 > 0 > 8 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWIAAAAwYMAAAAAAAAAB1AAAHgAIAAAADCzBngY+zpIIBACqAzX3XACSDCAxogAamCE+bJgMJvLE8duEtChkzhHI6AeY1+IOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > 5-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate > 5-[(3R)-3-(1,3-diphenyl-4-pyrazolyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate > 5-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate > 5-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate > 5-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate > 5-[(5R)-5-(1,3-diphenylpyrazol-4-yl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-5-keto-valerate > InChI=1S/C30H28N4O4/c1-38-24-17-15-21(16-18-24)26-19-27(34(31-26)28(35)13-8-14-29(36)37)25-20-33(23-11-6-3-7-12-23)32-30(25)22-9-4-2-5-10-22/h2-7,9-12,15-18,20,27H,8,13-14,19H2,1H3,(H,36,37)/p-1/t27-/m1/s1 > RRVDRGGMJTTZLJ-HHHXNRCGSA-M > 4.7 > 507.20323036 > C30H27N4O4- > 507.6 > COC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CCCC(=O)[O-] > COC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CCCC(=O)[O-] > 99.8 > 507.20323036 > -1 > 38 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 13 8 11 14 8 16 21 8 16 22 8 18 24 8 18 25 8 20 29 8 20 30 8 21 26 8 22 27 8 24 31 8 25 32 8 26 28 8 27 28 8 29 35 8 30 36 8 31 33 8 32 33 8 35 37 8 36 37 8 7 14 8 7 8 8 8 13 8 9 39 5 $$$$