(4S,6S)-6-Isobutyl-N-[2-(1-pyrrolidinyl)ethyl]-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-(2-pyrrolidin-1-ylethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide

ID: Reference12998

Other Names: NAT33-474964

Formula: C22H32N4O

Spectral Data

(4S,6S)-6-Isobutyl-N-[2-(1-pyrrolidinyl)ethyl]-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 2024
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/8/2024 10:49:25 AM
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Identificators

InChI InChI=1S/C22H32N4O/c1-15(2)12-19-17-6-5-7-18-21(17)16(14-24-18)13-20(25-19)22(27)23-8-11-26-9-3-4-10-26/h5-7,14-15,19-20,24-25H,3-4,8-13H2,1-2H3,(H,23,27)/t19-,20-/m0/s1
InChI Key WZGVQJPPAFROMP-PMACEKPBSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CNC3=CC=C2)CC(N1)C(=O)NCCN4CCCC4
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Other Names NAT33-474964

In Other Databases

ChemSpider 29850895
PubChem 51137946