1-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-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-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]urea

ID: Reference10441

Other Names: Urea, N-(3-methoxyphenyl)-N'-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-406812

Formula: C30H41N5O3

Spectral Data

1-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-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 1337
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 5/6/2021 12:49:00 PM
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Identificators

InChI InChI=1S/C30H41N5O3/c1-21(2)27-17-23(18-29(36)35-14-12-34(13-15-35)28-10-5-6-11-31-28)22(3)16-24(27)20-32-30(37)33-25-8-7-9-26(19-25)38-4/h5-11,16,19,21,23-24,27H,12-15,17-18,20H2,1-4H3,(H2,32,33,37)/t23-,24-,27-/m0/s1
InChI Key IWBALQAVASMYOI-DPZBCOQUSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=CC=CC=N3)C(C)C)CNC(=O)NC4=CC(=CC=C4)OC
CAS
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Other Names Urea, N-(3-methoxyphenyl)-N'-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-406812

In Other Databases

ChemSpider 22937228
PubChem 45783895