(4aS,9aR)-2-Benzoyl-7-[2-(1H-imidazol-4-yl)ethyl]decahydro-6H-pyrido[3,4-d]azepin-6-one

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Systematic / IUPAC Name: (4aS,9aR)-2-Benzoyl-7-[2-(1H-imidazol-5-yl)ethyl]-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one

ID: Reference9309

Other Names: 6H-Pyrido[3,4-d]azepin-6-one, 2-benzoyldecahydro-7-[2-(1H-imidazol-4-yl)ethyl]-, (4aS,9aR)-;
NAT14-345242

Formula: C21H26N4O2

Spectral Data

(4aS,9aR)-2-Benzoyl-7-[2-(1H-imidazol-4-yl)ethyl]decahydro-6H-pyrido[3,4-d]azepin-6-one 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 Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2734
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/23/2020 2:12:12 PM
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Identificators

InChI InChI=1S/C21H26N4O2/c26-20-12-17-6-10-25(21(27)16-4-2-1-3-5-16)14-18(17)7-9-24(20)11-8-19-13-22-15-23-19/h1-5,13,15,17-18H,6-12,14H2,(H,22,23)/t17-,18-/m0/s1
InChI Key SAGREDGNLRXFAI-ROUUACIJSA-N
Canonical SMILES C1CN(CC2C1CC(=O)N(CC2)CCC3=CN=CN3)C(=O)C4=CC=CC=C4
CAS
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Other Names 6H-Pyrido[3,4-d]azepin-6-one, 2-benzoyldecahydro-7-[2-(1H-imidazol-4-yl)ethyl]-, (4aS,9aR)-;
NAT14-345242

In Other Databases

ChemSpider 21384540
PubChem 26742649