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

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

ID: Reference10437

Other Names: Benzamide, 4-cyano-N-[[(1S,4S,6S)-4-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-;
NAT28-403783

Formula: C28H32FN3O2

Spectral Data

4-Cyano-N-{[(1S,4S,6S)-4-{2-[(4-fluorobenzyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-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 4168
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/6/2021 2:43:42 PM
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Identificators

InChI InChI=1S/C28H32FN3O2/c1-18(2)26-13-23(14-27(33)31-16-21-6-10-25(29)11-7-21)19(3)12-24(26)17-32-28(34)22-8-4-20(15-30)5-9-22/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 XPQBLQBVRRSPQC-GNKBHMEESA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)F)C(C)C)CNC(=O)C3=CC=C(C=C3)C#N
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Other Names Benzamide, 4-cyano-N-[[(1S,4S,6S)-4-[2-[[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-;
NAT28-403783

In Other Databases

ChemSpider 22937042
PubChem 38027552