(4aS,9aR)-7-(1,3-Benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)acetyl]decahydro-6H-pyrido[3,4-d]azepin-6-one

enlarge

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

ID: Reference9311

Other Names: 6H-Pyrido[3,4-d]azepin-6-one, 7-(1,3-benzodioxol-5-ylmethyl)decahydro-2-[2-(4-methoxyphenyl)acetyl]-, (4aS,9aR)-;
NAT14-345817

Formula: C26H30N2O5

Spectral Data

(4aS,9aR)-7-(1,3-Benzodioxol-5-ylmethyl)-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
No. of Spectral Trees 1
No. of Spectra 1040
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/23/2020 2:13:17 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H30N2O5/c1-31-22-5-2-18(3-6-22)13-25(29)28-10-8-20-14-26(30)27(11-9-21(20)16-28)15-19-4-7-23-24(12-19)33-17-32-23/h2-7,12,20-21H,8-11,13-17H2,1H3/t20-,21-/m0/s1
InChI Key JOGBHWMUIYQXRV-SFTDATJTSA-N
Canonical SMILES COC1=CC=C(C=C1)CC(=O)N2CCC3CC(=O)N(CCC3C2)CC4=CC5=C(C=C4)OCO5
CAS
Splash
Other Names 6H-Pyrido[3,4-d]azepin-6-one, 7-(1,3-benzodioxol-5-ylmethyl)decahydro-2-[2-(4-methoxyphenyl)acetyl]-, (4aS,9aR)-;
NAT14-345817

In Other Databases

ChemSpider 21384674
PubChem 26742824