3-Fluoro-N-{[(1S,4S,6S)-6-isopropyl-3-methyl-4-{2-oxo-2-[(3-pyridinylmethyl)amino]ethyl}-2-cyclohexen-1-yl]methyl}benzamide

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Systematic / IUPAC Name: 3-Fluoro-N-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide

ID: Reference10372

Other Names: Benzamide, 3-fluoro-N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[(3-pyridinylmethyl)amino]ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-405742

Formula: C26H32FN3O2

Spectral Data

3-Fluoro-N-{[(1S,4S,6S)-6-isopropyl-3-methyl-4-{2-oxo-2-[(3-pyridinylmethyl)amino]ethyl}-2-cyclohexen-1-yl]methyl}benzamide 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 2
No. of Spectra 1304
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/16/2021 9:36:10 AM
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Identificators

InChI InChI=1S/C26H32FN3O2/c1-17(2)24-12-21(13-25(31)29-15-19-6-5-9-28-14-19)18(3)10-22(24)16-30-26(32)20-7-4-8-23(27)11-20/h4-11,14,17,21-22,24H,12-13,15-16H2,1-3H3,(H,29,31)(H,30,32)/t21-,22-,24-/m0/s1
InChI Key VBMCUAMRPADJAN-FIXSFTCYSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CNC(=O)C3=CC(=CC=C3)F
CAS
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Other Names Benzamide, 3-fluoro-N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[(3-pyridinylmethyl)amino]ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-405742

In Other Databases

ChemSpider 22937177
PubChem 38028541