Systematic / IUPAC Name: 1-[(1S,4S)-4-(1-Benzyl-3,5-dimethylpyrazol-4-yl)cyclopent-2-en-1-yl]-3-propan-2-ylurea
ID: Reference9203
Other Names:
Urea, N-[(1S,4S)-4-[3,5-dimethyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-N'-(1-methylethyl)-;
NAT16-353252
Formula: C21H28N4O
1-[(1S,4S)-4-(1-Benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-cyclopenten-1-yl]-3-isopropylurea mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 2 |
No. of Spectra | 1805 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 12/5/2019 7:34:52 AM |
InChI | InChI=1S/C21H28N4O/c1-14(2)22-21(26)23-19-11-10-18(12-19)20-15(3)24-25(16(20)4)13-17-8-6-5-7-9-17/h5-11,14,18-19H,12-13H2,1-4H3,(H2,22,23,26)/t18-,19-/m1/s1 |
InChI Key | HPAQHQPJVUGHJI-RTBURBONSA-N |
Canonical SMILES | CC1=C(C(=NN1CC2=CC=CC=C2)C)C3CC(C=C3)NC(=O)NC(C)C |
CAS | |
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Other Names |
Urea, N-[(1S,4S)-4-[3,5-dimethyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-N'-(1-methylethyl)-; NAT16-353252 |