YM218

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Systematic / IUPAC Name: N-[4-({(5Z)-5-[2-(1,4'-Bipiperidin-1'-yl)-2-oxoethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}carbonyl)phenyl]-2-methyl-3-furamide

ID: Reference2762

Other Names: 3-Furancarboxamide, N-[4-({(5Z)-5-[2-(1,4'-bipiperidin)-1'-yl-2-oxoethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}carbonyl)phenyl]-2-methyl-

Formula: C35H38F2N4O4

Spectral Data

YM218 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 Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/3/2015 11:37:21 AM
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Identificators

InChI InChI=1S/C35H38F2N4O4/c1-24-28(15-22-45-24)33(43)38-26-11-9-25(10-12-26)34(44)41-21-16-35(36,37)30(29-7-3-4-8-31(29)41)23-32(42)40-19-13-27(14-20-40)39-17-5-2-6-18-39/h3-4,7-12,15,22-23,27H,2,5-6,13-14,16-21H2,1H3,(H,38,43)/b30-23-
InChI Key VDUUABBYYOPFAW-WMMMYUQOSA-N
Canonical SMILES CC1=C(C=CO1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCC(C(=CC(=O)N4CCC(CC4)N5CCCCC5)C6=CC=CC=C63)(F)F
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Other Names 3-Furancarboxamide, N-[4-({(5Z)-5-[2-(1,4'-bipiperidin)-1'-yl-2-oxoethylidene]-4,4-difluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}carbonyl)phenyl]-2-methyl-

In Other Databases

ChemSpider 8092672
ChEMBL CHEMBL3307200
PubChem 9917025