4-{[3,5-Bis(sec-Butyl)-4-oxocyclohexa-2,5-dienyliden]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
4556
Reference
4-{[3,5-Bis(sec-Butyl)-4-oxocyclohexa-2,5-dienyliden]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one Structure
Systematic / IUPAC Name: 4-[(3,5-Di-sec-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
ID: Reference4556
Other Names: 3H-Pyrazol-3-one, 4-{[3,5-bis(1-methylpropyl)-4-oxo-2,5-cyclohexadien-1-ylidene]amino}-1,2-dihydro-1,5-dimethyl-2-phenyl-
Formula: C25H31N3O2
Spectral Data
4-{[3,5-Bis(sec-Butyl)-4-oxocyclohexa-2,5-dienyliden]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/14/2016 11:10:24 AM |
Identificators
| InChI | InChI=1S/C25H31N3O2/c1-7-16(3)21-14-19(15-22(24(21)29)17(4)8-2)26-23-18(5)27(6)28(25(23)30)20-12-10-9-11-13-20/h9-17H,7-8H2,1-6H3 |
| InChI Key | IBKCFAGOOSRAMP-UHFFFAOYSA-N |
| Canonical SMILES | CCC(C)C1=CC(=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C=C(C1=O)C(C)CC |
| CAS | |
| Splash | |
| Other Names | 3H-Pyrazol-3-one, 4-{[3,5-bis(1-methylpropyl)-4-oxo-2,5-cyclohexadien-1-ylidene]amino}-1,2-dihydro-1,5-dimethyl-2-phenyl- |
In Other Databases
| PubChem | 2817532 |
| ChEMBL | CHEMBL1413305 |
| ChemSpider | 2095828 |