16727381 -OEChem-03182422582D 29 31 0 0 0 0 0 0 0999 V2000 4.6660 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.1671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9951 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 18 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 19 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END > 16727381 > 1 > 353 > 3 > 2 > 2 > AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBwAAAHgAQAAAADADBmgQ9sJLIEACoAjN3dACCgCk1AiAJ2CE4ZNiIIPLAlZGEIQhokQLIyacYiICOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== > 3-(2-pyridylamino)-2H-isoquinolin-1-one > 3-(2-pyridinylamino)-2H-isoquinolin-1-one > 3-(pyridin-2-ylamino)-2H-isoquinolin-1-one > 3-(pyridin-2-ylamino)-2H-isoquinolin-1-one > 3-(pyridin-2-ylamino)-2H-isoquinolin-1-one > 3-(2-pyridylamino)isocarbostyril > InChI=1S/C14H11N3O/c18-14-11-6-2-1-5-10(11)9-13(17-14)16-12-7-3-4-8-15-12/h1-9H,(H2,15,16,17,18) > HHZRFWPJLIXTAE-UHFFFAOYSA-N > 2.3 > 237.090211983 > C14H11N3O > 237.26 > C1=CC=C2C(=C1)C=C(NC2=O)NC3=CC=CC=N3 > C1=CC=C2C(=C1)C=C(NC2=O)NC3=CC=CC=N3 > 54 > 237.090211983 > 0 > 18 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 11 13 8 12 13 8 14 15 8 15 16 8 16 17 8 17 18 8 2 7 8 2 9 8 4 14 8 4 18 8 5 10 8 5 6 8 5 8 8 6 11 8 6 9 8 7 8 8 $$$$