Systematic / IUPAC Name: (4aS,9aR)-7-(1,3-Benzodioxol-5-ylmethyl)-2-(cyclopropanecarbonyl)-1,3,4,4a,5,8,9,9a-octahydropyrido[3,4-d]azepin-6-one
ID: Reference9224
Other Names:
6H-Pyrido[3,4-d]azepin-6-one, 7-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylcarbonyl)decahydro-, (4aS,9aR)-;
NAT14-345827
Formula: C21H26N2O4
(4aS,9aR)-7-(1,3-Benzodioxol-5-ylmethyl)-2-(cyclopropylcarbonyl)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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 454 |
Tandem Spectra | MS1, MS2, MS3 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 12/16/2019 9:18:16 AM |
InChI | InChI=1S/C21H26N2O4/c24-20-10-16-5-8-23(21(25)15-2-3-15)12-17(16)6-7-22(20)11-14-1-4-18-19(9-14)27-13-26-18/h1,4,9,15-17H,2-3,5-8,10-13H2/t16-,17-/m0/s1 |
InChI Key | KTBMZLPAVHNGPL-IRXDYDNUSA-N |
Canonical SMILES | C1CC1C(=O)N2CCC3CC(=O)N(CCC3C2)CC4=CC5=C(C=C4)OCO5 |
CAS | |
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Other Names |
6H-Pyrido[3,4-d]azepin-6-one, 7-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylcarbonyl)decahydro-, (4aS,9aR)-; NAT14-345827 |