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

enlarge

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

ID: Reference9085

Other Names: Indolo[2,3-a]quinolizine-6-carboxylic acid, 4-(4-chloro-3-fluorophenyl)-1,2,3,4,6,7,12,12b-octahydro-2-[[3-(1H-imidazol-1-yl)propyl]amino]-, methyl ester, (2R,4S,6S,12bR)-;
NAT15-330358

Formula: C29H31ClFN5O2

Spectral Data

Methyl (2R,4S,6S,12bR)-4-(4-chloro-3-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 1615
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/7/2019 7:50:15 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C29H31ClFN5O2/c1-38-29(37)27-16-21-20-5-2-3-6-24(20)34-28(21)26-15-19(33-9-4-11-35-12-10-32-17-35)14-25(36(26)27)18-7-8-22(30)23(31)13-18/h2-3,5-8,10,12-13,17,19,25-27,33-34H,4,9,11,14-16H2,1H3/t19-,25+,26-,27+/m1/s1
InChI Key VCCFYESMPAXART-ABXDHCHGSA-N
Canonical SMILES COC(=O)C1CC2=C(C3N1C(CC(C3)NCCCN4C=CN=C4)C5=CC(=C(C=C5)Cl)F)NC6=CC=CC=C26
CAS
Splash
Other Names Indolo[2,3-a]quinolizine-6-carboxylic acid, 4-(4-chloro-3-fluorophenyl)-1,2,3,4,6,7,12,12b-octahydro-2-[[3-(1H-imidazol-1-yl)propyl]amino]-, methyl ester, (2R,4S,6S,12bR)-;
NAT15-330358

In Other Databases

ChemSpider 21385312
PubChem 44716461