Methyl (2R,4S,6S,12bR)-4-(4-fluorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate

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Systematic / IUPAC Name: Methyl (2R,4S,6S,12bR)-4-(4-fluorophenyl)-2-(3-imidazol-1-ylpropylamino)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate

ID: Reference9141

Other Names: Indolo[2,3-a]quinolizine-6-carboxylic acid, 4-(4-fluorophenyl)-1,2,3,4,6,7,12,12b-octahydro-2-[[3-(1H-imidazol-1-yl)propyl]amino]-, methyl ester, (2R,4S,6S,12bR)-;
NAT15-330446

Formula: C29H32FN5O2

Spectral Data

Methyl (2R,4S,6S,12bR)-4-(4-fluorophenyl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine-6-carboxylate 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1772
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/22/2019 11:07:23 AM
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Identificators

InChI InChI=1S/C29H32FN5O2/c1-37-29(36)27-17-23-22-5-2-3-6-24(22)33-28(23)26-16-21(32-11-4-13-34-14-12-31-18-34)15-25(35(26)27)19-7-9-20(30)10-8-19/h2-3,5-10,12,14,18,21,25-27,32-33H,4,11,13,15-17H2,1H3/t21-,25+,26-,27+/m1/s1
InChI Key XGOYXCKVXRSDQC-DXXVALNZSA-N
Canonical SMILES COC(=O)C1CC2=C(C3N1C(CC(C3)NCCCN4C=CN=C4)C5=CC=C(C=C5)F)NC6=CC=CC=C26
CAS
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Other Names Indolo[2,3-a]quinolizine-6-carboxylic acid, 4-(4-fluorophenyl)-1,2,3,4,6,7,12,12b-octahydro-2-[[3-(1H-imidazol-1-yl)propyl]amino]-, methyl ester, (2R,4S,6S,12bR)-;
NAT15-330446

In Other Databases

PubChem 40780287
ChemSpider 21385338