1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-3-(3-methoxyphenyl)urea

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Systematic / IUPAC Name: 1-(3-Methoxyphenyl)-3-[[(1S,4S,6S)-3-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]urea

ID: Reference10405

Other Names: Urea, N-(3-methoxyphenyl)-N'-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-405027

Formula: C26H40N4O3

Spectral Data

1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)-3-(3-methoxyphenyl)urea 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 1280
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2021 10:36:57 AM
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Identificators

InChI InChI=1S/C26H40N4O3/c1-18(2)24-14-20(15-25(31)30-11-9-29(4)10-12-30)19(3)13-21(24)17-27-26(32)28-22-7-6-8-23(16-22)33-5/h6-8,13,16,18,20-21,24H,9-12,14-15,17H2,1-5H3,(H2,27,28,32)/t20-,21-,24-/m0/s1
InChI Key CJUAPUCTSBZRHL-HFMPRLQTSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C)C(C)C)CNC(=O)NC3=CC(=CC=C3)OC
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Other Names Urea, N-(3-methoxyphenyl)-N'-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-405027

In Other Databases

PubChem 38027937
ChemSpider 22937097