5379971 -OEChem-05132406502D 61 65 0 0 0 0 0 0 0999 V2000 7.1962 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 4.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 1.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 5.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 5.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 1.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 3.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 2.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 2 0 0 0 0 3 27 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 5 46 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 9 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 19 22 2 0 0 0 0 19 23 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 24 1 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 34 2 0 0 0 0 32 58 1 0 0 0 0 33 35 2 0 0 0 0 33 59 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 M END > 5379971 > 1 > 855 > 5 > 1 > 6 > AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YMECAAAAAACBUAAAHgAQAAAADAzBmAQwwIPAAACIAqRSQACCAAAlAgAIiAGIZMgIIDLAlbGEIQhgkADIyccZiYCeiAAAAAAQAAAQAAAAACAAAAAAAAAAAA== > 2-[4-[(E)-3-phenylprop-2-enoyl]anilino]-3-(1-piperidyl)naphthalene-1,4-dione > 2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]anilino]-3-(1-piperidinyl)naphthalene-1,4-dione > 2-[4-[(E)-3-phenylprop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione > 2-[4-[(E)-3-phenylprop-2-enoyl]anilino]-3-piperidin-1-ylnaphthalene-1,4-dione > 2-[[4-[(E)-3-phenylprop-2-enoyl]phenyl]amino]-3-piperidin-1-yl-naphthalene-1,4-dione > 2-[4-[(E)-3-phenylacryloyl]anilino]-3-piperidino-1,4-naphthoquinone > InChI=1S/C30H26N2O3/c33-26(18-13-21-9-3-1-4-10-21)22-14-16-23(17-15-22)31-27-28(32-19-7-2-8-20-32)30(35)25-12-6-5-11-24(25)29(27)34/h1,3-6,9-18,31H,2,7-8,19-20H2/b18-13+ > KGVBDWCVWNUBLS-QGOAFFKASA-N > 6.1 > 462.19434270 > C30H26N2O3 > 462.5 > C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)C=CC5=CC=CC=C5 > C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC=C(C=C4)C(=O)/C=C/C5=CC=CC=C5 > 66.5 > 462.19434270 > 0 > 35 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 8 14 17 8 16 18 8 17 20 8 18 21 8 19 22 8 19 23 8 20 21 8 22 24 8 23 25 8 24 26 8 25 26 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 $$$$