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

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

ID: Reference11657

Other Names: NAT33-501014

Formula: C29H32N4O

Spectral Data

(4S,6S)-N-Benzyl-6-isobutyl-1-(3-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 3100
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/16/2022 11:29:21 AM
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Identificators

InChI InChI=1S/C29H32N4O/c1-20(2)14-25-24-11-6-12-27-28(24)23(19-33(27)18-22-10-7-13-30-16-22)15-26(32-25)29(34)31-17-21-8-4-3-5-9-21/h3-13,16,19-20,25-26,32H,14-15,17-18H2,1-2H3,(H,31,34)/t25-,26-/m0/s1
InChI Key WVVMDRHYGOOTNP-UIOOFZCWSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC4=CN=CC=C4)CC(N1)C(=O)NCC5=CC=CC=C5
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Other Names NAT33-501014

In Other Databases

ChemSpider 29850965
PubChem 51138023