1-(4-Chlorophenyl)-3-{(1S,4S)-4-[1-(2-cyanoethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl}urea

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

ID: Reference9098

Other Names: Urea, N-(4-chlorophenyl)-N'-[(1S,4S)-4-[1-(2-cyanoethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-;
NAT16-352742

Formula: C20H22ClN5O

Spectral Data

1-(4-Chlorophenyl)-3-{(1S,4S)-4-[1-(2-cyanoethyl)-3,5-dimethyl-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1723
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/8/2019 1:06:29 PM
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Identificators

InChI InChI=1S/C20H22ClN5O/c1-13-19(14(2)26(25-13)11-3-10-22)15-4-7-18(12-15)24-20(27)23-17-8-5-16(21)6-9-17/h4-9,15,18H,3,11-12H2,1-2H3,(H2,23,24,27)/t15-,18-/m1/s1
InChI Key VUKNFNUFLAFLFJ-CRAIPNDOSA-N
Canonical SMILES CC1=C(C(=NN1CCC#N)C)C2CC(C=C2)NC(=O)NC3=CC=C(C=C3)Cl
CAS
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Other Names Urea, N-(4-chlorophenyl)-N'-[(1S,4S)-4-[1-(2-cyanoethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-;
NAT16-352742

In Other Databases

ChemSpider 21385606
PubChem 25390023