| SpectraBase Spectrum ID |
FnaCAJKMiJQ |
| Name |
(4aS,8aS,10R,10aR)-4fluoro-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 |
| Alternate Name(s) |
7-(p-Fluorophenyl)-5,6-[1'-(anilinocarbonyl)cyclopent-5'-ene-4',5'-diyl]-cyclohexa[2,3-a]-(1,4)-diazepane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28FN3O |
| InChI |
InChI=1S/C25H28FN3O/c26-17-12-10-16(11-13-17)23-19-14-15-20(25(30)27-18-6-2-1-3-7-18)24(19)29-22-9-5-4-8-21(22)28-23/h1-3,6-7,10-13,19,21-23,28-29H,4-5,8-9,14-15H2,(H,27,30)/t19-,21+,22+,23+/m1/s1 |
| InChIKey |
JSWVKYBSWAMEET-SWUCNREESA-N |
| Molecular Weight |
405.517 g/mol |
| SMILES |
N(C(C1=C2[C@@]([C@@](N[C@@]3([C@@](N2)(CCCC3)[H])[H])(c2ccc(F)cc2)[H])(CC1)[H])=O)c1ccccc1 |
| SPLASH |
splash10-0a4i-0001900000-ddec11ff12e4d45f434c |
| Source of Spectrum |
F5-7-1917-4L |
| Wiley ID |
1696527 |
![(4aS,8aS,10R,10aR)-4fluoro-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/FnaCAJKMiJQ/structure.png?h=300&w=458 "(4aS,8aS,10R,10aR)-4fluoro-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")
