1-Benzyl-3-[(1S,4S)-4-{3,5-dimethyl-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]urea

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Systematic / IUPAC Name: 1-Benzyl-3-[(1S,4S)-4-[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]urea

ID: Reference9242

Other Names: Urea, N-[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-N'-(phenylmethyl)-;
NAT16-377617

Formula: C28H34N4O

Spectral Data

1-Benzyl-3-[(1S,4S)-4-{3,5-dimethyl-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]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 2798
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 1/10/2020 1:24:31 PM
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Identificators

InChI InChI=1S/C28H34N4O/c1-19-26(20(2)32(31-19)25-15-12-23(13-16-25)28(3,4)5)22-11-14-24(17-22)30-27(33)29-18-21-9-7-6-8-10-21/h6-16,22,24H,17-18H2,1-5H3,(H2,29,30,33)/t22-,24-/m1/s1
InChI Key CCEXGLXGJOOQKJ-ISKFKSNPSA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)C)C3CC(C=C3)NC(=O)NCC4=CC=CC=C4
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Other Names Urea, N-[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-N'-(phenylmethyl)-;
NAT16-377617

In Other Databases

PubChem 26743431
ChemSpider 21385837