N-{[(1S,4S,6S)-4-{2-[(4-Cyanobenzyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-4-fluorobenzamide

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Systematic / IUPAC Name: N-[[(1S,4S,6S)-4-[2-[(4-Cyanophenyl)methylamino]-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-4-fluorobenzamide

ID: Reference12756

Other Names: NAT28-408378

Formula: C28H32FN3O2

Spectral Data

N-{[(1S,4S,6S)-4-{2-[(4-Cyanobenzyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-4-fluorobenzamide 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 2768
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/12/2023 11:03:34 AM
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Identificators

InChI InChI=1S/C28H32FN3O2/c1-18(2)26-13-23(14-27(33)31-16-21-6-4-20(15-30)5-7-21)19(3)12-24(26)17-32-28(34)22-8-10-25(29)11-9-22/h4-12,18,23-24,26H,13-14,16-17H2,1-3H3,(H,31,33)(H,32,34)/t23-,24-,26-/m0/s1
InChI Key JAAJQJDZXBNTHH-GNKBHMEESA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNC(=O)C3=CC=C(C=C3)F
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Other Names NAT28-408378

In Other Databases

ChemSpider 22937292
PubChem 38029402