39581004 -OEChem-03192403512D 45 48 0 0 0 0 0 0 0999 V2000 7.2641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9215 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -0.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -4.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 21 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 14 1 0 0 0 0 4 21 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 16 2 0 0 0 0 13 36 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 15 37 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END > 39581004 > 1 > 542 > 2 > 1 > 2 > AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAACBQAAAHgAQAAAADQjBmAQwAIPAAACIAiVSUACCAAAkAgAIiAGIBMgIYDKAlTGUIQhghgCIiYcYiMCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 3-(4-phenylpiperidine-1-carbonyl)-2H-isoquinolin-1-one > 3-[oxo-(4-phenyl-1-piperidinyl)methyl]-2H-isoquinolin-1-one > 3-(4-phenylpiperidine-1-carbonyl)-2H-isoquinolin-1-one > 3-(4-phenylpiperidine-1-carbonyl)-2H-isoquinolin-1-one > 3-(4-phenylpiperidin-1-yl)carbonyl-2H-isoquinolin-1-one > 3-(4-phenylpiperidine-1-carbonyl)isocarbostyril > InChI=1S/C21H20N2O2/c24-20-18-9-5-4-8-17(18)14-19(22-20)21(25)23-12-10-16(11-13-23)15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,22,24) > KMQBJZSVTJMPRB-UHFFFAOYSA-N > 3.2 > 332.152477885 > C21H20N2O2 > 332.4 > C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=O)N3 > C1CN(CCC1C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=O)N3 > 49.4 > 332.152477885 > 0 > 25 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 13 8 12 15 8 13 16 8 14 17 8 15 18 8 16 18 8 17 19 8 19 20 8 19 22 8 20 21 8 20 23 8 22 24 8 23 25 8 24 25 8 4 14 8 4 21 8 $$$$