| SpectraBase Spectrum ID |
3S4KomEP8BD |
| Name |
(4aS,8aS,10R,10aR)-10-Phenyl-1,2,4,4a,5,6,7,8,8a,9,10,10a-dodecahydro-benzo[b]cyclopenta[e][1,4]diazepine-3-carboxylic acid phenylamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H29N3O |
| InChI |
InChI=1S/C25H29N3O/c29-25(26-18-11-5-2-6-12-18)20-16-15-19-23(17-9-3-1-4-10-17)27-21-13-7-8-14-22(21)28-24(19)20/h1-6,9-12,19,21-23,27-28H,7-8,13-16H2,(H,26,29)/t19-,21+,22+,23+/m1/s1 |
| InChIKey |
CCRGYTFEJINBPG-SWUCNREESA-N |
| Molecular Weight |
387.527 g/mol |
| SMILES |
N(C(C1=C2[C@@]([C@@](N[C@@]3([C@@](N2)(CCCC3)[H])[H])(c2ccccc2)[H])(CC1)[H])=O)c1ccccc1 |
| SPLASH |
splash10-000i-0019000000-7e3e891bf13d2dc38de0 |
| Source of Spectrum |
F5-7-1917-4m |
| Synonyms |
7-Phenyl-5,6-[1'-(anilinocarbonyl)cyclopent-5'-ene-4',5'-diyl]-cyclohexa[2,3-a]-(1,4)-diazepane |
| Wiley ID |
1696526 |
![(4aS,8aS,10R,10aR)-10-Phenyl-1,2,4,4a,5,6,7,8,8a,9,10,10a-dodecahydro-benzo[b]cyclopenta[e][1,4]diazepine-3-carboxylic acid phenylamide](/api/spectrum/3S4KomEP8BD/structure.png?h=300&w=458 "(4aS,8aS,10R,10aR)-10-Phenyl-1,2,4,4a,5,6,7,8,8a,9,10,10a-dodecahydro-benzo[b]cyclopenta[e][1,4]diazepine-3-carboxylic acid phenylamide")
