4183796 -OEChem-05191318472D 65 69 0 1 0 0 0 0 0999 V2000 7.1962 6.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9446 -1.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0000 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 4.5981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -0.0347 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 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 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 8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.0000 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 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.0000 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 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5000 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 4.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0000 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 6.6592 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3497 2.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5515 2.5044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 1.4147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0712 2.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0712 -0.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 0.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -3.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -2.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 35 1 0 0 0 0 3 39 1 0 0 0 0 4 16 2 0 0 0 0 5 27 1 0 0 0 0 5 34 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 7 18 1 0 0 0 0 7 52 1 0 0 0 0 7 53 1 0 0 0 0 8 26 3 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 19 1 0 0 0 0 15 20 2 0 0 0 0 17 18 2 0 0 0 0 17 26 1 0 0 0 0 19 22 2 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 20 47 1 0 0 0 0 21 28 2 0 0 0 0 21 29 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 30 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 31 1 0 0 0 0 28 56 1 0 0 0 0 29 32 2 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 2 0 0 0 0 36 63 1 0 0 0 0 37 39 2 0 0 0 0 37 64 1 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 M END > 4183796 > 1 > 1050 > 6 > 1 > 5 > AAADceB7MQAGAAAAAAAAAAAAAAAAAAAAAAAwYMECAAAAAACBUAAAHwIQAAAADQ6hmCozxoNABACYBqRSQACiCAAhJ0AIiAEGb8iMpjPFs5uGOCjkwBPI6W+YyfCOwABCAAAQCACAAIQAACAQAAAAAAAAAA== > 2-amino-4-[3-[(2-chloro-4-fluoro-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile > 2-amino-4-[3-[(2-chloro-4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-1-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile > 2-amino-4-[3-[(2-chloro-4-fluorophenoxy)methyl]-2,5-dimethylphenyl]-1-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile > 2-azanyl-4-[3-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-chlorophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinoline-3-carbonitrile > 2-amino-4-[3-[(2-chloro-4-fluoro-phenoxy)methyl]-2,5-dimethyl-phenyl]-1-(4-chlorophenyl)-5-keto-4,6,7,8-tetrahydroquinoline-3-carbonitrile > InChI=1S/C31H26Cl2FN3O2/c1-17-12-19(16-39-28-11-8-21(34)14-25(28)33)18(2)23(13-17)29-24(15-35)31(36)37(22-9-6-20(32)7-10-22)26-4-3-5-27(38)30(26)29/h6-14,29H,3-5,16,36H2,1-2H3 > LFDFROXQXPSLPP-UHFFFAOYSA-N > 7.3 > 561.138611 > C31H26Cl2FN3O2 > 562.461443 > CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Cl)N)C#N)C)COC5=C(C=C(C=C5)F)Cl > CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Cl)N)C#N)C)COC5=C(C=C(C=C5)F)Cl > 79.4 > 561.138611 > 0 > 39 > 0 > 1 > 0 > 0 > 0 > 1 > 10 > 1 5 255 > 15 19 8 15 20 8 19 22 8 20 23 8 21 28 8 21 29 8 22 24 8 23 24 8 28 31 8 29 32 8 31 33 8 32 33 8 34 35 8 34 36 8 35 37 8 36 38 8 37 39 8 38 39 8 9 15 3 $$$$