4492085 -OEChem-06191300022D 54 57 0 1 0 0 0 0 0999 V2000 8.3548 4.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5293 -2.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 1.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -0.8822 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8080 -1.7482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 0.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 -0.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7861 -1.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 3.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4888 2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -2.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 -0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7692 0.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2208 2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2208 3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -2.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6227 1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1147 2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1147 4.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -4.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0208 2.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0208 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -4.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 4.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 -0.1611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 -0.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2487 -1.3943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3757 0.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 1.4455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1628 0.7102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2936 -0.3558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 1.8342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9327 4.9911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0858 4.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3127 3.9173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0858 2.7642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -2.2647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -3.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 1.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 5.1088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -3.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -4.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5565 2.6213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5565 4.2871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -5.0553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 2 10 2 0 0 0 0 3 21 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 6 40 1 0 0 0 0 7 32 3 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 33 1 0 0 0 0 12 17 2 0 0 0 0 12 20 1 0 0 0 0 13 22 2 0 0 0 0 13 23 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 2 0 0 0 0 17 41 1 0 0 0 0 18 26 2 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 24 2 3 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 22 27 1 0 0 0 0 22 46 1 0 0 0 0 23 28 2 0 0 0 0 23 47 1 0 0 0 0 24 32 1 0 0 0 0 25 29 1 0 0 0 0 25 48 1 0 0 0 0 26 30 1 0 0 0 0 26 49 1 0 0 0 0 27 31 2 0 0 0 0 27 50 1 0 0 0 0 28 31 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END > 4492085 > 1 > 919 > 5 > 1 > 4 > AAADceB7sAAAAAAAAAAAAAAAAAAAAQAAAAAwYIAAAAAAAACBQAAAHgAYAAAADByhmAYyxoLABACYBiVSUACiDAAhIgAaiAGObMgM5iLEsbuWOCjkxBHI6ceQwCAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide > 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-methyl-2H-1-benzopyran-3-yl)-2-propenamide > 2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide > 2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-methyl-2H-chromen-3-yl)prop-2-enamide > 2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(2-methyl-2H-chromen-3-yl)acrylamide > InChI=1S/C25H22N4O3/c1-16-23(25(31)29(28(16)3)21-10-5-4-6-11-21)27-24(30)20(15-26)14-19-13-18-9-7-8-12-22(18)32-17(19)2/h4-14,17H,1-3H3,(H,27,30) > DQOFPMYMFZHORW-UHFFFAOYSA-N > 4.2 > 426.169191 > C25H22N4O3 > 426.46718 > CC1C(=CC2=CC=CC=C2O1)C=C(C#N)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C > CC1C(=CC2=CC=CC=C2O1)C=C(C#N)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C > 85.7 > 426.169191 > 0 > 32 > 0 > 1 > 0 > 1 > 0 > 1 > 2 > 1 5 255 > 11 19 3 13 22 8 13 23 8 16 18 8 16 25 8 18 26 8 20 24 1 22 27 8 23 28 8 25 29 8 26 30 8 27 31 8 28 31 8 29 30 8 4 5 8 4 8 8 5 10 8 8 9 8 9 10 8 $$$$