(4aS,9aR)-7-(1,3-Benzodioxol-5-ylmethyl)-N-cyclohexyl-6-oxodecahydro-2H-pyrido[3,4-d]azepine-2-carboxamide

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Systematic / IUPAC Name: (4aS,9aR)-7-(1,3-Benzodioxol-5-ylmethyl)-N-cyclohexyl-6-oxo-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepine-2-carboxamide

ID: Reference9226

Other Names: 2H-Pyrido[3,4-d]azepine-2-carboxamide, 7-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyldecahydro-6-oxo-, (4aS,9aR)-;
NAT14-345826

Formula: C24H33N3O4

Spectral Data

(4aS,9aR)-7-(1,3-Benzodioxol-5-ylmethyl)-N-cyclohexyl-6-oxodecahydro-2H-pyrido[3,4-d]azepine-2-carboxamide 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 FAIMS
No. of Spectral Trees 2
No. of Spectra 1699
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2019 9:25:44 AM
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Identificators

InChI InChI=1S/C24H33N3O4/c28-23-13-18-8-11-27(24(29)25-20-4-2-1-3-5-20)15-19(18)9-10-26(23)14-17-6-7-21-22(12-17)31-16-30-21/h6-7,12,18-20H,1-5,8-11,13-16H2,(H,25,29)/t18-,19-/m0/s1
InChI Key ZXRFJXHHYPSDPM-OALUTQOASA-N
Canonical SMILES C1CCC(CC1)NC(=O)N2CCC3CC(=O)N(CCC3C2)CC4=CC5=C(C=C4)OCO5
CAS
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Other Names 2H-Pyrido[3,4-d]azepine-2-carboxamide, 7-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyldecahydro-6-oxo-, (4aS,9aR)-;
NAT14-345826

In Other Databases

ChemSpider 21384680
PubChem 26742832