(4S,6S)-6-Isobutyl-N-propyl-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)-9-(2-Methylpropyl)-N-propyl-3-(pyridin-3-ylmethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide

ID: Reference10939

Other Names: NAT33-501033

Formula: C25H32N4O

Spectral Data

(4S,6S)-6-Isobutyl-N-propyl-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 726
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2021 12:03:21 PM
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Identificators

InChI InChI=1S/C25H32N4O/c1-4-10-27-25(30)22-13-19-16-29(15-18-7-6-11-26-14-18)23-9-5-8-20(24(19)23)21(28-22)12-17(2)3/h5-9,11,14,16-17,21-22,28H,4,10,12-13,15H2,1-3H3,(H,27,30)/t21-,22-/m0/s1
InChI Key YYFNKONCHCSDQT-VXKWHMMOSA-N
Canonical SMILES CCCNC(=O)C1CC2=CN(C3=CC=CC(=C23)C(N1)CC(C)C)CC4=CN=CC=C4
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Other Names NAT33-501033

In Other Databases

PubChem 51138033
ChemSpider 29850973