CYM-5520

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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

Spectral Data

CYM-5520 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 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
View Mass Spec Data > >

Identificators

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
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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-

In Other Databases

ChemSpider 34975862
PubChem 25110470