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

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

ID: Reference10417

Other Names: Benzamide, 4-cyano-N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-[[2-(4-morpholinyl)ethyl]amino]-2-oxoethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-402253

Formula: C27H38N4O3

Spectral Data

4-Cyano-N-{[(1S,4S,6S)-6-isopropyl-3-methyl-4-(2-{[2-(4-morpholinyl)ethyl]amino}-2-oxoethyl)-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 2247
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 4/30/2021 12:07:16 PM
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Identificators

InChI InChI=1S/C27H38N4O3/c1-19(2)25-15-23(16-26(32)29-8-9-31-10-12-34-13-11-31)20(3)14-24(25)18-30-27(33)22-6-4-21(17-28)5-7-22/h4-7,14,19,23-25H,8-13,15-16,18H2,1-3H3,(H,29,32)(H,30,33)/t23-,24-,25-/m0/s1
InChI Key PWZWGNUVFGTEBA-SDHOMARFSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCCN2CCOCC2)C(C)C)CNC(=O)C3=CC=C(C=C3)C#N
CAS
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Other Names Benzamide, 4-cyano-N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-[[2-(4-morpholinyl)ethyl]amino]-2-oxoethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-402253

In Other Databases

PubChem 38027105
ChemSpider 22936980