(4S,6S)-6-Isobutyl-N-[2-(4-morpholinyl)ethyl]-1-(4-pyridinylmethyl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide

enlarge

Systematic / IUPAC Name: (9S,11S)-9-(2-Methylpropyl)-N-(2-morpholin-4-ylethyl)-3-(pyridin-4-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide

ID: Reference11633

Other Names: NAT33-501046

Formula: C28H37N5O2

Spectral Data

(4S,6S)-6-Isobutyl-N-[2-(4-morpholinyl)ethyl]-1-(4-pyridinylmethyl)-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxamide 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 3091
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/8/2022 7:58:54 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C28H37N5O2/c1-20(2)16-24-23-4-3-5-26-27(23)22(19-33(26)18-21-6-8-29-9-7-21)17-25(31-24)28(34)30-10-11-32-12-14-35-15-13-32/h3-9,19-20,24-25,31H,10-18H2,1-2H3,(H,30,34)/t24-,25-/m0/s1
InChI Key YSHSIJPMNMAESP-DQEYMECFSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC4=CC=NC=C4)CC(N1)C(=O)NCCN5CCOCC5
CAS
Splash
Other Names NAT33-501046

In Other Databases

PubChem 51138037
ChemSpider 29850975