| SpectraBase Spectrum ID |
e0EZnghhI0 |
| Name |
(2R*,3S*,5R*)-N-Phenyl-2-cyano-1,3,5-trimethyl-1H-1-benzazepine-3-carboxamide |
| Alternate Name(s) |
(2R,3S,5R)-2-Cyano-1,3,5-trimethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine-3-carboxylic acid phenylamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23N3O |
| InChI |
InChI=1S/C21H23N3O/c1-15-13-21(2,20(25)23-16-9-5-4-6-10-16)19(14-22)24(3)18-12-8-7-11-17(15)18/h4-12,15,19H,13H2,1-3H3,(H,23,25)/t15-,19+,21+/m1/s1 |
| InChIKey |
PTHCBBFQCBVDBL-JJXUHFIVSA-N |
| Molecular Weight |
333.435 g/mol |
| SMILES |
N(C([C@@]1([C@@](N(c2ccccc2[C@@](C1)(C)[H])C)(C#N)[H])C)=O)c1ccccc1 |
| SPLASH |
splash10-05a2-0901000000-bad2629ed6ed245a0bab |
| Source of Spectrum |
F-49-896-20 |
| Wiley ID |
1330402 |
