N-[(1S,11aS)-7-(5-Chloro-2-methoxyphenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]cyclopentanecarboxamide

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Systematic / IUPAC Name: N-[(6aS,7S)-2-(5-Chloro-2-methoxyphenyl)-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]cyclopentanecarboxamide

ID: Reference8944

Other Names: Cyclopentanecarboxamide, N-[(1S,11aS)-7-(5-chloro-2-methoxyphenyl)-2,3,5,10,11,11a-hexahydro-5,11-dioxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-;
NAT3-328119

Formula: C25H26ClN3O4

Spectral Data

N-[(1S,11aS)-7-(5-Chloro-2-methoxyphenyl)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]cyclopentanecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 2281
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods NSI
Analyzers FT
Last Modification 9/20/2019 6:56:28 AM
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Identificators

InChI InChI=1S/C25H26ClN3O4/c1-33-21-9-7-16(26)13-17(21)15-6-8-19-18(12-15)25(32)29-11-10-20(22(29)24(31)27-19)28-23(30)14-4-2-3-5-14/h6-9,12-14,20,22H,2-5,10-11H2,1H3,(H,27,31)(H,28,30)/t20-,22-/m0/s1
InChI Key DXRRAQWGWFMWPH-UNMCSNQZSA-N
Canonical SMILES COC1=C(C=C(C=C1)Cl)C2=CC3=C(C=C2)NC(=O)C4C(CCN4C3=O)NC(=O)C5CCCC5
CAS
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Other Names Cyclopentanecarboxamide, N-[(1S,11aS)-7-(5-chloro-2-methoxyphenyl)-2,3,5,10,11,11a-hexahydro-5,11-dioxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-1-yl]-;
NAT3-328119

In Other Databases

ChemSpider 10115789
PubChem 11941470