| SpectraBase Spectrum ID |
A2BEZXKIUHM |
| Name |
1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-cyanophenyl)amino]pyrazolo[3,4-d][1,3]diazepine |
| Alternate Name(s) |
ethyl 7-(4-cyanoanilino)-3-methyl-1-phenyl-1,6-dihydropyrazolo[3,4-d][1,3]diazepine-5-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H20N6O2 |
| InChI |
InChI=1S/C23H20N6O2/c1-3-31-22(30)20-13-19-15(2)28-29(18-7-5-4-6-8-18)21(19)27-23(26-20)25-17-11-9-16(14-24)10-12-17/h4-13H,3H2,1-2H3,(H2,25,26,27) |
| InChIKey |
GIRUWEGKEUKREG-UHFFFAOYSA-N |
| Molecular Weight |
412.453 g/mol |
| SMILES |
N1C(=Cc2c(N=C1Nc1ccc(C#N)cc1)[n](nc2C)-c1ccccc1)C(=O)OCC |
| SPLASH |
splash10-01p9-0009700000-55e9aacd6eee23d5be72 |
| Source of Spectrum |
J-58-5268-3 |
| Wiley ID |
1374436 |
![1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-cyanophenyl)amino]pyrazolo[3,4-d][1,3]diazepine](/api/spectrum/A2BEZXKIUHM/structure.png?h=300&w=458 "1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-cyanophenyl)amino]pyrazolo[3,4-d][1,3]diazepine")
