(4S,6S)-1-Allyl-6-isobutyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-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-[3-(2-oxopyrrolidin-1-yl)propyl]-3-prop-2-enyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide

ID: Reference10149

Other Names: 1H-Azepino[5,4,3-cd]indole-4-carboxamide, 3,4,5,6-tetrahydro-6-(2-methylpropyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1-(2-propen-1-yl)-, (4S,6S)-;
NAT33-501301

Formula: C26H36N4O2

Spectral Data

(4S,6S)-1-Allyl-6-isobutyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-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 2033
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/18/2020 9:34:59 AM
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Identificators

InChI InChI=1S/C26H36N4O2/c1-4-12-30-17-19-16-22(26(32)27-11-7-14-29-13-6-10-24(29)31)28-21(15-18(2)3)20-8-5-9-23(30)25(19)20/h4-5,8-9,17-18,21-22,28H,1,6-7,10-16H2,2-3H3,(H,27,32)/t21-,22-/m0/s1
InChI Key XVOLSROCAJQPSQ-VXKWHMMOSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC=C)CC(N1)C(=O)NCCCN4CCCC4=O
CAS
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Other Names 1H-Azepino[5,4,3-cd]indole-4-carboxamide, 3,4,5,6-tetrahydro-6-(2-methylpropyl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-1-(2-propen-1-yl)-, (4S,6S)-;
NAT33-501301

In Other Databases

ChemSpider 29851052
PubChem 51138118