(1R,9S)-11-(Cyclohexylmethyl)-5-{2-[(dimethylamino)methyl]phenyl}-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-11-(Cyclohexylmethyl)-5-[2-[(dimethylamino)methyl]phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference9994

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(cyclohexylmethyl)-9-[2-[(dimethylamino)methyl]phenyl]-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-286995

Formula: C27H37N3O

Spectral Data

(1R,9S)-11-(Cyclohexylmethyl)-5-{2-[(dimethylamino)methyl]phenyl}-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 465
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2020 12:14:05 PM
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Identificators

InChI InChI=1S/C27H37N3O/c1-28(2)18-22-10-6-7-11-24(22)25-12-13-26-23-14-21(17-30(26)27(25)31)16-29(19-23)15-20-8-4-3-5-9-20/h6-7,10-13,20-21,23H,3-5,8-9,14-19H2,1-2H3/t21-,23+/m0/s1
InChI Key FHLJTCJRKFJLFF-JTHBVZDNSA-N
Canonical SMILES CN(C)CC1=CC=CC=C1C2=CC=C3C4CC(CN(C4)CC5CCCCC5)CN3C2=O
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(cyclohexylmethyl)-9-[2-[(dimethylamino)methyl]phenyl]-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-286995

In Other Databases

PubChem 40587791
ChemSpider 21380159