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

enlarge

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

ID: Reference9229

Other Names: 6H-Pyrido[3,4-d]azepin-6-one, 7-[2-(2,3-dimethoxyphenyl)ethyl]-2-(3,3-dimethyl-1-oxobutyl)decahydro-, (4aS,9aR)-;
NAT14-262442

Formula: C25H38N2O4

Spectral Data

(4aS,9aR)-7-[2-(2,3-Dimethoxyphenyl)ethyl]-2-(3,3-dimethylbutanoyl)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 1761
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2019 10:07:46 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H38N2O4/c1-25(2,3)16-23(29)27-14-10-19-15-22(28)26(13-11-20(19)17-27)12-9-18-7-6-8-21(30-4)24(18)31-5/h6-8,19-20H,9-17H2,1-5H3/t19-,20-/m0/s1
InChI Key HEMGZDIUDKEDAH-PMACEKPBSA-N
Canonical SMILES CC(C)(C)CC(=O)N1CCC2CC(=O)N(CCC2C1)CCC3=C(C(=CC=C3)OC)OC
CAS
Splash
Other Names 6H-Pyrido[3,4-d]azepin-6-one, 7-[2-(2,3-dimethoxyphenyl)ethyl]-2-(3,3-dimethyl-1-oxobutyl)decahydro-, (4aS,9aR)-;
NAT14-262442

In Other Databases

PubChem 26742545
ChemSpider 21382149