(4aS,9aR)-7-[2-(2,3-Dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)acetyl]decahydro-6H-pyrido[3,4-d]azepin-6-one

enlarge

Systematic / IUPAC Name: (4aS,9aR)-7-[2-(2,3-Dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)acetyl]-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one

ID: Reference9227

Other Names: 6H-Pyrido[3,4-d]azepin-6-one, 7-[2-(2,3-dimethoxyphenyl)ethyl]decahydro-2-[2-(4-methoxyphenyl)acetyl]-, (4aS,9aR)-;
NAT14-262439

Formula: C28H36N2O5

Spectral Data

(4aS,9aR)-7-[2-(2,3-Dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)acetyl]decahydro-6H-pyrido[3,4-d]azepin-6-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 2294
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2019 10:02:47 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C28H36N2O5/c1-33-24-9-7-20(8-10-24)17-26(31)30-16-12-22-18-27(32)29(15-13-23(22)19-30)14-11-21-5-4-6-25(34-2)28(21)35-3/h4-10,22-23H,11-19H2,1-3H3/t22-,23-/m0/s1
InChI Key NGCRBHJWCMTYAN-GOTSBHOMSA-N
Canonical SMILES COC1=CC=C(C=C1)CC(=O)N2CCC3CC(=O)N(CCC3C2)CCC4=C(C(=CC=C4)OC)OC
CAS
Splash
Other Names 6H-Pyrido[3,4-d]azepin-6-one, 7-[2-(2,3-dimethoxyphenyl)ethyl]decahydro-2-[2-(4-methoxyphenyl)acetyl]-, (4aS,9aR)-;
NAT14-262439

In Other Databases

PubChem 26742542
ChemSpider 21382146