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

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

ID: Reference11652

Other Names: NAT33-501065

Formula: C28H31N5O

Spectral Data

(4S,6S)-6-Isobutyl-N-(2-pyridinylmethyl)-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 3169
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/16/2022 11:01:10 AM
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Identificators

InChI InChI=1S/C28H31N5O/c1-19(2)14-24-23-7-5-8-26-27(23)21(18-33(26)17-20-9-12-29-13-10-20)15-25(32-24)28(34)31-16-22-6-3-4-11-30-22/h3-13,18-19,24-25,32H,14-17H2,1-2H3,(H,31,34)/t24-,25-/m0/s1
InChI Key NESMWUPVJLALRS-DQEYMECFSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC4=CC=NC=C4)CC(N1)C(=O)NCC5=CC=CC=N5
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Other Names NAT33-501065

In Other Databases

ChemSpider 29850984
PubChem 51138049