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

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

ID: Reference10371

Other Names: Benzamide, N-[[(1S,4S,6S)-4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-3-fluoro-;
NAT28-402087

Formula: C26H36FN3O3

Spectral Data

N-({(1S,4S,6S)-4-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)-3-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 2
No. of Spectra 3964
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/16/2021 9:29:22 AM
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Identificators

InChI InChI=1S/C26H36FN3O3/c1-17(2)24-14-21(15-25(32)30-10-8-29(9-11-30)19(4)31)18(3)12-22(24)16-28-26(33)20-6-5-7-23(27)13-20/h5-7,12-13,17,21-22,24H,8-11,14-16H2,1-4H3,(H,28,33)/t21-,22-,24-/m0/s1
InChI Key ZEQVRXCROVOJQJ-FIXSFTCYSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C(=O)C)C(C)C)CNC(=O)C3=CC(=CC=C3)F
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Other Names Benzamide, N-[[(1S,4S,6S)-4-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-3-fluoro-;
NAT28-402087

In Other Databases

ChemSpider 22936957
PubChem 38026953