4789729 -OEChem-03292411112D 40 42 0 1 0 0 0 0 0999 V2000 9.7619 -3.0427 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 3.0427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.2874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.4214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7874 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 0.7874 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 2.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 2.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 0.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 1.4995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 1.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 0.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -2.7136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.6906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1419 -1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.9306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -1.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 16 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 M END > 4789729 > 1 > 522 > 3 > 1 > 3 > AAADceB7MAAAEAAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAEABAAAAHgBQAAABrQjBmAQywIPAAACIAiVSUACCAAAhAgQIiAGIZKgIYDLAkbGUIAhgliDIyhcdgAAOgAAgEAACAAAAAEAgAAQAAAAAAAAAAA== > N-(4-bromo-2-methyl-phenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide > N-(4-bromo-2-methylphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide > N-(4-bromo-2-methylphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide > N-(4-bromo-2-methylphenyl)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide > 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-bromanyl-2-methyl-phenyl)ethanamide > N-(4-bromo-2-methyl-phenyl)-2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide > InChI=1S/C17H17BrN2O3/c1-10-8-11(18)6-7-14(10)19-15(21)9-20-16(22)12-4-2-3-5-13(12)17(20)23/h2-3,6-8,12-13H,4-5,9H2,1H3,(H,19,21) > FZBAMBKNOAPLID-UHFFFAOYSA-N > 2.3 > 376.04225 > C17H17BrN2O3 > 377.2 > CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=O)C3CC=CCC3C2=O > CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=O)C3CC=CCC3C2=O > 66.5 > 376.04225 > 0 > 23 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 18 8 17 19 8 18 20 8 19 22 8 20 23 8 22 23 8 7 9 3 8 10 3 $$$$