1-Isopropyl-3-{[(1S,4S,6S)-6-isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]methyl}urea

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Systematic / IUPAC Name: 1-[[(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]-3-propan-2-ylurea

ID: Reference10340

Other Names: Urea, N-(1-methylethyl)-N'-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-406811

Formula: C26H41N5O2

Spectral Data

1-Isopropyl-3-{[(1S,4S,6S)-6-isopropyl-3-methyl-4-{2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl}-2-cyclohexen-1-yl]methyl}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 2
No. of Spectra 3126
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/31/2021 9:15:03 AM
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Identificators

InChI InChI=1S/C26H41N5O2/c1-18(2)23-15-21(20(5)14-22(23)17-28-26(33)29-19(3)4)16-25(32)31-12-10-30(11-13-31)24-8-6-7-9-27-24/h6-9,14,18-19,21-23H,10-13,15-17H2,1-5H3,(H2,28,29,33)/t21-,22-,23-/m0/s1
InChI Key SATCLIAXUOBNHO-VABKMULXSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=CC=CC=N3)C(C)C)CNC(=O)NC(C)C
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Other Names Urea, N-(1-methylethyl)-N'-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-406811

In Other Databases

ChemSpider 22937227
PubChem 38028914