Systematic / IUPAC Name: 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-6-oxo-1,6-dihydro-3-pyridinecarbonitrile
ID: Reference4437
Other Names:
CYM 5520;
1-{2-[2,5-Dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-2-oxoethyl}-1,6-dihydro-6-oxo-3-pyridinecarbonitrile ;
3-Pyridinecarbonitrile, 1-{2-[2,5-dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-2-oxoethyl}-1,6-dihydro-6-oxo-
Formula: C21H19N3O2
Class: Endogenous Metabolites
CYM-5520 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Elite |
No. of Spectral Trees | 1 |
No. of Spectra | 1110 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | IT; FT |
Last Modification | 4/6/2016 2:26:27 PM |
InChI | InChI=1S/C21H19N3O2/c1-15-10-19(16(2)24(15)13-17-6-4-3-5-7-17)20(25)14-23-12-18(11-22)8-9-21(23)26/h3-10,12H,13-14H2,1-2H3 |
InChI Key | FMYGNANMYYHBSU-UHFFFAOYSA-N |
Canonical SMILES | CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)C#N |
CAS | 1449747005 |
Splash | |
Other Names |
CYM 5520; 1-{2-[2,5-Dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-2-oxoethyl}-1,6-dihydro-6-oxo-3-pyridinecarbonitrile ; 3-Pyridinecarbonitrile, 1-{2-[2,5-dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-2-oxoethyl}-1,6-dihydro-6-oxo- |