basic_info |
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| Product_Name： | 3-[3-(1,1-DIMETHYLETHYL)-5-[(3-ISOQUINOLINYLCARBONYL)AMINO]-1H-PYRAZOL-1-YL]-BENZENEPROPANOIC ACID ETHYL ESTER |
| CAS： | 872171-25-0 |
| EnglishSynonyms： | BENZENEPROPANOIC ACID, 3-[3-(1,1-DIMETHYLETHYL)-5-[(3-ISOQUINOLINYLCARBONYL)AMINO]-1H-PYRAZOL-1-YL]-, ETHYL ESTER ; 3-[3-(1,1-DIMETHYLETHYL)-5-[(3-ISOQUINOLINYLCARBONYL)AMINO]-1H-PYRAZOL-1-YL]-BENZENEPROPANOIC ACID ETHYL ESTER |
| pro_mdlNumber： | MFCD16878700 |
| pro_acceptors： | 7 |
| pro_donors： | 1 |
| pro_smile： | C(C)OC(CCC1=CC(=CC=C1)N1N=C(C=C1NC(=O)C=1N=CC2=CC=CC=C2C1)C(C)(C)C)=O |
| InChi： | InChI=1S/C28H30N4O3/c1-5-35-26(33)14-13-19-9-8-12-22(15-19)32-25(17-24(31-32)28(2,3)4)30-27(34)23-16-20-10-6-7-11-21(20)18-29-23/h6-12,15-18H,5,13-14H2,1-4H3,(H,30,34) |
| InChiKey： | InChIKey=NIAIRKGAJUWWSP-UHFFFAOYSA-N |
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English![3-[3-(1,1-DIMETHYLETHYL)-5-[(3-ISOQUINOLINYLCARBONYL)AMINO]-1H-PYRAZOL-1-YL]-BENZENEPROPANOIC ACID ETHYL ESTER](http://www.chemcd.com/createImage?smile=C%28C%29OC%28CCC1%3DCC%28%3DCC%3DC1%29N1N%3DC%28C%3DC1NC%28%3DO%29C%3D1N%3DCC2%3DCC%3DCC%3DC2C1%29C%28C%29%28C%29C%29%3DO&size=web.jpg)