Nefazodone
Nefazodone Structure
Systematic / IUPAC Name: 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
ID: Reference2435
Other Names:
Nefazodonum;
2-{3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one;
1-{3-[4-(m-Chlorophenyl)-1-piperazinyl]propyl}-3-ethyl-4-(2-phenoxyethyl)-δ2-1,2,4-triazolin-5-one;
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-3-{[4-(3-chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-;
3H-1,2,4-Triazol-3-one, 2-{3-[4-(3-chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-
; more
Formula: C25H32ClN5O2
Class: Therapeutics/Prescription Drugs Sports Doping Drugs
Spectral Data
Nefazodone 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 Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 45 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/12/2015 3:06:22 PM |
Identificators
| InChI | InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3 |
| InChI Key | VRBKIVRKKCLPHA-UHFFFAOYSA-N |
| Canonical SMILES | CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl |
| CAS | 83366669 |
| Splash | |
| Other Names |
Nefazodonum; 2-{3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-1,2,4-triazol-3-one; 1-{3-[4-(m-Chlorophenyl)-1-piperazinyl]propyl}-3-ethyl-4-(2-phenoxyethyl)-δ2-1,2,4-triazolin-5-one; 3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-3-{[4-(3-chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-; 3H-1,2,4-Triazol-3-one, 2-{3-[4-(3-chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-; 1-{3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-1H-1,2,4-triazol-5(4H)-one; 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3H-1,2,4-triazol-3-one; 2-{3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; 2-{3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-[2-(phenyloxy)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one; 1-{3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl}-3-ethyl-4-(2-phenoxyethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one; 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2H-1,2,4-triazol-3(4H)-one |
In Other Databases
| KEGG | C07256; D08257 |
| ChEMBL | CHEMBL623 |
| ChEBI | CHEBI:7494 |
| PubChem | 4449 |
| ChemIDPlus | 083366669 |
| Wikipedia | Nefazodone |
| ChemSpider | 4294 |
| DrugBank | DB01149 |
| HMDb | HMDB15280 |