(4aS,9aR)-2-[(4-Methoxyphenyl)acetyl]-7-(3-pyridinylmethyl)decahydro-6H-pyrido[3,4-d]azepin-6-one

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Systematic / IUPAC Name: (4aS,9aR)-2-[2-(4-Methoxyphenyl)acetyl]-7-(pyridin-3-ylmethyl)-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one

ID: Reference9238

Other Names: 6H-Pyrido[3,4-d]azepin-6-one, decahydro-2-[2-(4-methoxyphenyl)acetyl]-7-(3-pyridinylmethyl)-, (4aS,9aR)-;
NAT14-345776

Formula: C24H29N3O3

Spectral Data

(4aS,9aR)-2-[(4-Methoxyphenyl)acetyl]-7-(3-pyridinylmethyl)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 1732
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2019 10:18:01 AM
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Identificators

InChI InChI=1S/C24H29N3O3/c1-30-22-6-4-18(5-7-22)13-23(28)27-11-8-20-14-24(29)26(12-9-21(20)17-27)16-19-3-2-10-25-15-19/h2-7,10,15,20-21H,8-9,11-14,16-17H2,1H3/t20-,21-/m0/s1
InChI Key YUMKJQRLGRKEJS-SFTDATJTSA-N
Canonical SMILES COC1=CC=C(C=C1)CC(=O)N2CCC3CC(=O)N(CCC3C2)CC4=CN=CC=C4
CAS
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Other Names 6H-Pyrido[3,4-d]azepin-6-one, decahydro-2-[2-(4-methoxyphenyl)acetyl]-7-(3-pyridinylmethyl)-, (4aS,9aR)-;
NAT14-345776

In Other Databases

ChemSpider 21384662
PubChem 26742810