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

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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]benzamide

ID: Reference10406

Other Names: Benzamide, N-[[(1S,4S,6S)-4-[2-[[(4-cyanophenyl)methyl]amino]-2-oxoethyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-;
NAT28-408369

Formula: C28H33N3O2

Spectral Data

N-{[(1S,4S,6S)-4-{2-[(4-Cyanobenzyl)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 1
No. of Spectra 1810
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2021 10:38:29 AM
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Identificators

InChI InChI=1S/C28H33N3O2/c1-19(2)26-14-24(15-27(32)30-17-22-11-9-21(16-29)10-12-22)20(3)13-25(26)18-31-28(33)23-7-5-4-6-8-23/h4-13,19,24-26H,14-15,17-18H2,1-3H3,(H,30,32)(H,31,33)/t24-,25-,26-/m0/s1
InChI Key BYIKWNLCUOFOJZ-GSDHBNRESA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNC(=O)C3=CC=CC=C3
CAS
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Other Names Benzamide, N-[[(1S,4S,6S)-4-[2-[[(4-cyanophenyl)methyl]amino]-2-oxoethyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-;
NAT28-408369

In Other Databases

PubChem 38029393
ChemSpider 22937291